Vinylogous acids
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Vinylogous acids
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4-Aminoantipyrine, 98%, Thermo Scientific Chemicals
CAS: 83-07-8 Molecular Formula: C11H13N3O Molecular Weight (g/mol): 203.25 MDL Number: MFCD00003145 InChI Key: RLFWWDJHLFCNIJ-UHFFFAOYSA-N Synonym: 4-aminoantipyrine,ampyrone,metapirazone,aminoantipyrine,solvapyrin-a,aminoazophene,4-aminophenazone,4-aminoantipyrene,aminoantipyrin,solnapyrin-a PubChem CID: 2151 ChEBI: CHEBI:59026 IUPAC Name: 4-amino-1,5-dimethyl-2-phenylpyrazol-3-one SMILES: CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N
PubChem CID | 2151 |
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CAS | 83-07-8 |
Molecular Weight (g/mol) | 203.25 |
ChEBI | CHEBI:59026 |
MDL Number | MFCD00003145 |
SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N |
Synonym | 4-aminoantipyrine,ampyrone,metapirazone,aminoantipyrine,solvapyrin-a,aminoazophene,4-aminophenazone,4-aminoantipyrene,aminoantipyrin,solnapyrin-a |
IUPAC Name | 4-amino-1,5-dimethyl-2-phenylpyrazol-3-one |
InChI Key | RLFWWDJHLFCNIJ-UHFFFAOYSA-N |
Molecular Formula | C11H13N3O |
3,5-Dimethyl-1H-pyrazole-4-carboxylic acid, 97%, Thermo Scientific™
CAS: 113808-86-9 Molecular Formula: C6H8N2O2 Molecular Weight (g/mol): 140.142 MDL Number: MFCD00159642 InChI Key: IOOWDXMXZBYKLR-UHFFFAOYSA-N Synonym: 3,5-dimethylpyrazole-4-carboxylic acid,1h-pyrazole-4-carboxylic acid, 3,5-dimethyl,1h-pyrazole-4-carboxylicacid, 3,5-dimethyl,3,5-dimethyl-1h-pyrazole-4-carboxylicacid,acmc-20a7j9,pyrazole carboxylic acid 1,ksc173i7f,3,5-dimethylpyrazole-4-carboxylic,3,5-dimethylpyrazole-4-carboxylicacid,1h-pyrazole-4-carboxylicacid,3,5-dimethyl PubChem CID: 2776164 IUPAC Name: 3,5-dimethyl-1H-pyrazole-4-carboxylic acid SMILES: CC1=C(C(=NN1)C)C(=O)O
PubChem CID | 2776164 |
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CAS | 113808-86-9 |
Molecular Weight (g/mol) | 140.142 |
MDL Number | MFCD00159642 |
SMILES | CC1=C(C(=NN1)C)C(=O)O |
Synonym | 3,5-dimethylpyrazole-4-carboxylic acid,1h-pyrazole-4-carboxylic acid, 3,5-dimethyl,1h-pyrazole-4-carboxylicacid, 3,5-dimethyl,3,5-dimethyl-1h-pyrazole-4-carboxylicacid,acmc-20a7j9,pyrazole carboxylic acid 1,ksc173i7f,3,5-dimethylpyrazole-4-carboxylic,3,5-dimethylpyrazole-4-carboxylicacid,1h-pyrazole-4-carboxylicacid,3,5-dimethyl |
IUPAC Name | 3,5-dimethyl-1H-pyrazole-4-carboxylic acid |
InChI Key | IOOWDXMXZBYKLR-UHFFFAOYSA-N |
Molecular Formula | C6H8N2O2 |
Methyl 3-methoxyacrylate, 95%, Thermo Scientific Chemicals
CAS: 34846-90-7 Molecular Formula: C5H8O3 Molecular Weight (g/mol): 116.13 MDL Number: MFCD00128206 InChI Key: AUTCCPQKLPMHDN-ONEGZZNKSA-N Synonym: methyl 3-methoxyacrylate,methyl trans-3-methoxyacrylate,methyl 2e-3-methoxyprop-2-enoate,e-methyl 3-methoxyacrylate,3-methoxyacrylic acid methyl ester,methyl-3-methoxyacrylate,2-propenoic acid, 3-methoxy-, methyl ester, 2e,methyl trans-3-methoxy acrylate,e-methyl-3-methoxyacrylate,methyl-trans-3-methoxyacrylate PubChem CID: 5323651 IUPAC Name: methyl (E)-3-methoxyprop-2-enoate SMILES: COC=CC(=O)OC
PubChem CID | 5323651 |
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CAS | 34846-90-7 |
Molecular Weight (g/mol) | 116.13 |
MDL Number | MFCD00128206 |
SMILES | COC=CC(=O)OC |
Synonym | methyl 3-methoxyacrylate,methyl trans-3-methoxyacrylate,methyl 2e-3-methoxyprop-2-enoate,e-methyl 3-methoxyacrylate,3-methoxyacrylic acid methyl ester,methyl-3-methoxyacrylate,2-propenoic acid, 3-methoxy-, methyl ester, 2e,methyl trans-3-methoxy acrylate,e-methyl-3-methoxyacrylate,methyl-trans-3-methoxyacrylate |
IUPAC Name | methyl (E)-3-methoxyprop-2-enoate |
InChI Key | AUTCCPQKLPMHDN-ONEGZZNKSA-N |
Molecular Formula | C5H8O3 |
3,4-Dihydroxy-3-cyclobutene-1,2-dione, 99%, Thermo Scientific Chemicals
CAS: 2892-51-5 MDL Number: MFCD00001334 InChI Key: PWEBUXCTKOWPCW-UHFFFAOYSA-N Synonym: squaric acid,3,4-dihydroxy-3-cyclobutene-1,2-dione,quadratic acid,3-cyclobutene-1,2-dione, 3,4-dihydroxy,quadratsaeure,cyclobutenedione, dihydroxy,1,2-diketo-3,4-dihydroxycyclobutene,dihydroxycyclobutenedione,unii-svr9d0vodw,dihydroxycyclobut-3-ene-1,2-dione PubChem CID: 17913 ChEBI: CHEBI:52141 IUPAC Name: 3,4-dihydroxycyclobut-3-ene-1,2-dione SMILES: C1(=C(C(=O)C1=O)O)O
PubChem CID | 17913 |
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CAS | 2892-51-5 |
ChEBI | CHEBI:52141 |
MDL Number | MFCD00001334 |
SMILES | C1(=C(C(=O)C1=O)O)O |
Synonym | squaric acid,3,4-dihydroxy-3-cyclobutene-1,2-dione,quadratic acid,3-cyclobutene-1,2-dione, 3,4-dihydroxy,quadratsaeure,cyclobutenedione, dihydroxy,1,2-diketo-3,4-dihydroxycyclobutene,dihydroxycyclobutenedione,unii-svr9d0vodw,dihydroxycyclobut-3-ene-1,2-dione |
IUPAC Name | 3,4-dihydroxycyclobut-3-ene-1,2-dione |
InChI Key | PWEBUXCTKOWPCW-UHFFFAOYSA-N |
Diethyl Ethoxymethylenemalonate, 99+%, Thermo Scientific Chemicals
CAS: 87-13-8 Molecular Formula: C10H16O5 Molecular Weight (g/mol): 216.23 MDL Number: MFCD00009148 InChI Key: LTMHNWPUDSTBKD-UHFFFAOYSA-N Synonym: diethyl ethoxymethylenemalonate,diethyl 2-ethoxymethylene malonate,ethoxymethylenemalonic acid diethyl ester,diethyl ethoxymethylene malonate,diethyl emme,propanedioic acid, ethoxymethylene-, diethyl ester,diethylethoxymethylenemalonate,1,3-diethyl 2-ethoxymethylidene propanedioate,diethyl ethoxymethylidene propanedioate PubChem CID: 6871 IUPAC Name: diethyl 2-(ethoxymethylidene)propanedioate SMILES: CCOC=C(C(=O)OCC)C(=O)OCC
PubChem CID | 6871 |
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CAS | 87-13-8 |
Molecular Weight (g/mol) | 216.23 |
MDL Number | MFCD00009148 |
SMILES | CCOC=C(C(=O)OCC)C(=O)OCC |
Synonym | diethyl ethoxymethylenemalonate,diethyl 2-ethoxymethylene malonate,ethoxymethylenemalonic acid diethyl ester,diethyl ethoxymethylene malonate,diethyl emme,propanedioic acid, ethoxymethylene-, diethyl ester,diethylethoxymethylenemalonate,1,3-diethyl 2-ethoxymethylidene propanedioate,diethyl ethoxymethylidene propanedioate |
IUPAC Name | diethyl 2-(ethoxymethylidene)propanedioate |
InChI Key | LTMHNWPUDSTBKD-UHFFFAOYSA-N |
Molecular Formula | C10H16O5 |
Methyl Anthranilate 99%, Thermo Scientific Chemicals
CAS: 134-20-3 Molecular Formula: C8H9NO2 Molecular Weight (g/mol): 151.17 MDL Number: MFCD00007710 InChI Key: VAMXMNNIEUEQDV-UHFFFAOYSA-N Synonym: methyl anthranilate,2-aminobenzoic acid methyl ester,anthranilic acid methyl ester,methyl o-aminobenzoate,nevoli oil,methylanthranilate,o-carbomethoxyaniline,2-carbomethoxyaniline,2-methoxycarbonyl aniline,benzoic acid, 2-amino-, methyl ester PubChem CID: 8635 ChEBI: CHEBI:73244 IUPAC Name: methyl 2-aminobenzoate SMILES: COC(=O)C1=CC=CC=C1N
PubChem CID | 8635 |
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CAS | 134-20-3 |
Molecular Weight (g/mol) | 151.17 |
ChEBI | CHEBI:73244 |
MDL Number | MFCD00007710 |
SMILES | COC(=O)C1=CC=CC=C1N |
Synonym | methyl anthranilate,2-aminobenzoic acid methyl ester,anthranilic acid methyl ester,methyl o-aminobenzoate,nevoli oil,methylanthranilate,o-carbomethoxyaniline,2-carbomethoxyaniline,2-methoxycarbonyl aniline,benzoic acid, 2-amino-, methyl ester |
IUPAC Name | methyl 2-aminobenzoate |
InChI Key | VAMXMNNIEUEQDV-UHFFFAOYSA-N |
Molecular Formula | C8H9NO2 |
Hypoxanthine, 99.5%, Thermo Scientific Chemicals
CAS: 68-94-0 Molecular Formula: C5H4N4O Molecular Weight (g/mol): 136.11 MDL Number: MFCD00005725 InChI Key: FDGQSTZJBFJUBT-UHFFFAOYSA-N Synonym: hypoxanthine,6-hydroxypurine,9h-purin-6-ol,sarkin,6-oxopurine,sarcine,sarkine,3h-purin-6-ol,7h-purin-6-ol,purin-6 1h-one PubChem CID: 790 ChEBI: CHEBI:17368 SMILES: O=C1N=CNC2=C1NC=N2
PubChem CID | 790 |
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CAS | 68-94-0 |
Molecular Weight (g/mol) | 136.11 |
ChEBI | CHEBI:17368 |
MDL Number | MFCD00005725 |
SMILES | O=C1N=CNC2=C1NC=N2 |
Synonym | hypoxanthine,6-hydroxypurine,9h-purin-6-ol,sarkin,6-oxopurine,sarcine,sarkine,3h-purin-6-ol,7h-purin-6-ol,purin-6 1h-one |
InChI Key | FDGQSTZJBFJUBT-UHFFFAOYSA-N |
Molecular Formula | C5H4N4O |
Croconic acid disodium salt, 97%, Thermo Scientific Chemicals
CAS: 14379-00-1 Molecular Formula: C5Na2O5 Molecular Weight (g/mol): 186.03 MDL Number: MFCD00191954 InChI Key: OQXLFPHHAAAVKQ-UHFFFAOYSA-L Synonym: croconic acid disodium salt,croconic acid, disodium salt,disodium trioxocyclopent-1-ene-1,2-bis olate,sodium 3,4,5-trioxocyclopent-1-ene-1,2-bis olate,4,5-dihydroxy-4-cyclopentene-1,2,3-trione disodium salt PubChem CID: 12120285 IUPAC Name: disodium;3,4,5-trioxocyclopentene-1,2-diolate SMILES: [Na+].[Na+].[O-]C1=C([O-])C(=O)C(=O)C1=O
PubChem CID | 12120285 |
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CAS | 14379-00-1 |
Molecular Weight (g/mol) | 186.03 |
MDL Number | MFCD00191954 |
SMILES | [Na+].[Na+].[O-]C1=C([O-])C(=O)C(=O)C1=O |
Synonym | croconic acid disodium salt,croconic acid, disodium salt,disodium trioxocyclopent-1-ene-1,2-bis olate,sodium 3,4,5-trioxocyclopent-1-ene-1,2-bis olate,4,5-dihydroxy-4-cyclopentene-1,2,3-trione disodium salt |
IUPAC Name | disodium;3,4,5-trioxocyclopentene-1,2-diolate |
InChI Key | OQXLFPHHAAAVKQ-UHFFFAOYSA-L |
Molecular Formula | C5Na2O5 |
Antipyrine, 98%, Thermo Scientific Chemicals
CAS: 60-80-0 Molecular Formula: C11H12N2O Molecular Weight (g/mol): 188.23 MDL Number: MFCD00003146 InChI Key: VEQOALNAAJBPNY-UHFFFAOYSA-N Synonym: antipyrine,phenazone,antipyrin,phenazon,analgesine,anodynine,anodynin,azophen,fenazone,2,3-dimethyl-1-phenyl-5-pyrazolone PubChem CID: 2206 ChEBI: CHEBI:31225 IUPAC Name: 1,5-dimethyl-2-phenylpyrazol-3-one SMILES: CC1=CC(=O)N(N1C)C2=CC=CC=C2
PubChem CID | 2206 |
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CAS | 60-80-0 |
Molecular Weight (g/mol) | 188.23 |
ChEBI | CHEBI:31225 |
MDL Number | MFCD00003146 |
SMILES | CC1=CC(=O)N(N1C)C2=CC=CC=C2 |
Synonym | antipyrine,phenazone,antipyrin,phenazon,analgesine,anodynine,anodynin,azophen,fenazone,2,3-dimethyl-1-phenyl-5-pyrazolone |
IUPAC Name | 1,5-dimethyl-2-phenylpyrazol-3-one |
InChI Key | VEQOALNAAJBPNY-UHFFFAOYSA-N |
Molecular Formula | C11H12N2O |
2,2,6-Trimethyl-1,3-dioxin-4-one, cont. up to ca 6% acetone, Thermo Scientific Chemicals
CAS: 5394-63-8 Molecular Formula: C7H10O3 Molecular Weight (g/mol): 142.154 MDL Number: MFCD00040468 InChI Key: XFRBXZCBOYNMJP-UHFFFAOYSA-N Synonym: 2,2,6-trimethyl-4h-1,3-dioxin-4-one,2,2,4-trimethyl-6-keto-1,3-dioxin,diketene acetone adduct,4h-1,3-dioxin-4-one, 2,2,6-trimethyl,2,2,6-trimethyl-1,3-dioxen-4-one,2,2,6-trimethyl-1,3-dioxine-4-one,2,2,6-trimethyl-1,3 dioxin-4-one,pubchem20364,2,2,6-trimethyl-4h-1,3-dioxin-4-on,acmc-1akcb PubChem CID: 79368 IUPAC Name: 2,2,6-trimethyl-1,3-dioxin-4-one SMILES: CC1=CC(=O)OC(O1)(C)C
PubChem CID | 79368 |
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CAS | 5394-63-8 |
Molecular Weight (g/mol) | 142.154 |
MDL Number | MFCD00040468 |
SMILES | CC1=CC(=O)OC(O1)(C)C |
Synonym | 2,2,6-trimethyl-4h-1,3-dioxin-4-one,2,2,4-trimethyl-6-keto-1,3-dioxin,diketene acetone adduct,4h-1,3-dioxin-4-one, 2,2,6-trimethyl,2,2,6-trimethyl-1,3-dioxen-4-one,2,2,6-trimethyl-1,3-dioxine-4-one,2,2,6-trimethyl-1,3 dioxin-4-one,pubchem20364,2,2,6-trimethyl-4h-1,3-dioxin-4-on,acmc-1akcb |
IUPAC Name | 2,2,6-trimethyl-1,3-dioxin-4-one |
InChI Key | XFRBXZCBOYNMJP-UHFFFAOYSA-N |
Molecular Formula | C7H10O3 |
Ethyl 2-aminobenzoate, 99%, Thermo Scientific Chemicals
CAS: 87-25-2 Molecular Formula: C9H11NO2 Molecular Weight (g/mol): 165.192 MDL Number: MFCD00007711 InChI Key: TWLLPUMZVVGILS-UHFFFAOYSA-N Synonym: ethyl anthranilate,ethyl o-aminobenzoate,anthranilic acid, ethyl ester,2-aminobenzoic acid ethyl ester,2-carboethoxyaniline,o-ethoxycarbonyl aniline,benzoic acid, 2-amino-, ethyl ester,ethylanthranilate,benzoic acid, o-amino-, ethyl ester,2-ethoxycarbonyl aniline PubChem CID: 6877 IUPAC Name: ethyl 2-aminobenzoate SMILES: CCOC(=O)C1=CC=CC=C1N
PubChem CID | 6877 |
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CAS | 87-25-2 |
Molecular Weight (g/mol) | 165.192 |
MDL Number | MFCD00007711 |
SMILES | CCOC(=O)C1=CC=CC=C1N |
Synonym | ethyl anthranilate,ethyl o-aminobenzoate,anthranilic acid, ethyl ester,2-aminobenzoic acid ethyl ester,2-carboethoxyaniline,o-ethoxycarbonyl aniline,benzoic acid, 2-amino-, ethyl ester,ethylanthranilate,benzoic acid, o-amino-, ethyl ester,2-ethoxycarbonyl aniline |
IUPAC Name | ethyl 2-aminobenzoate |
InChI Key | TWLLPUMZVVGILS-UHFFFAOYSA-N |
Molecular Formula | C9H11NO2 |
Hypoxanthine, 99%, Thermo Scientific Chemicals
CAS: 68-94-0 Molecular Formula: C5H4N4O Molecular Weight (g/mol): 136.11 MDL Number: MFCD00005725 InChI Key: FDGQSTZJBFJUBT-UHFFFAOYSA-N Synonym: hypoxanthine,6-hydroxypurine,9h-purin-6-ol,sarkin,6-oxopurine,sarcine,sarkine,3h-purin-6-ol,7h-purin-6-ol,purin-6 1h-one PubChem CID: 790 ChEBI: CHEBI:17368 IUPAC Name: 3,7-dihydropurin-6-one SMILES: O=C1N=CNC2=C1NC=N2
PubChem CID | 790 |
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CAS | 68-94-0 |
Molecular Weight (g/mol) | 136.11 |
ChEBI | CHEBI:17368 |
MDL Number | MFCD00005725 |
SMILES | O=C1N=CNC2=C1NC=N2 |
Synonym | hypoxanthine,6-hydroxypurine,9h-purin-6-ol,sarkin,6-oxopurine,sarcine,sarkine,3h-purin-6-ol,7h-purin-6-ol,purin-6 1h-one |
IUPAC Name | 3,7-dihydropurin-6-one |
InChI Key | FDGQSTZJBFJUBT-UHFFFAOYSA-N |
Molecular Formula | C5H4N4O |
Ethyl (ethoxymethylene)cyanoacetate, 98%, Thermo Scientific Chemicals
CAS: 94-05-3 Molecular Formula: C8H11NO3 Molecular Weight (g/mol): 169.18 MDL Number: MFCD00009136 InChI Key: KTMGNAIGXYODKQ-SREVYHEPSA-N Synonym: ethyl ethoxymethylene cyanoacetate,e-ethyl 2-cyano-3-ethoxyacrylate,ethyl 2-cyano-3-ethoxyacrylate,ethyl 3-ethoxy-2-cyanoacrylate,ethyl 2e-2-cyano-3-ethoxyprop-2-enoate,ethyl cyano ethoxymethylene acetate,2-propenoic acid, 2-cyano-3-ethoxy-, ethyl ester,2-cyano-3-ethoxy-2-propenoic acid ethyl ester,2-cyano-3-ethoxyacrylic acid ethyl ester,ethyl 2e-2-cyano-3-ethoxy-2-propenoate PubChem CID: 1715183 IUPAC Name: ethyl (E)-2-cyano-3-ethoxyprop-2-enoate SMILES: CCO\C=C(\C#N)C(=O)OCC
PubChem CID | 1715183 |
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CAS | 94-05-3 |
Molecular Weight (g/mol) | 169.18 |
MDL Number | MFCD00009136 |
SMILES | CCO\C=C(\C#N)C(=O)OCC |
Synonym | ethyl ethoxymethylene cyanoacetate,e-ethyl 2-cyano-3-ethoxyacrylate,ethyl 2-cyano-3-ethoxyacrylate,ethyl 3-ethoxy-2-cyanoacrylate,ethyl 2e-2-cyano-3-ethoxyprop-2-enoate,ethyl cyano ethoxymethylene acetate,2-propenoic acid, 2-cyano-3-ethoxy-, ethyl ester,2-cyano-3-ethoxy-2-propenoic acid ethyl ester,2-cyano-3-ethoxyacrylic acid ethyl ester,ethyl 2e-2-cyano-3-ethoxy-2-propenoate |
IUPAC Name | ethyl (E)-2-cyano-3-ethoxyprop-2-enoate |
InChI Key | KTMGNAIGXYODKQ-SREVYHEPSA-N |
Molecular Formula | C8H11NO3 |
Antipyrine, 99%, Thermo Scientific Chemicals
CAS: 60-80-0 Molecular Formula: C11H12N2O Molecular Weight (g/mol): 188.23 MDL Number: MFCD00003146 InChI Key: VEQOALNAAJBPNY-UHFFFAOYSA-N Synonym: antipyrine,phenazone,antipyrin,phenazon,analgesine,anodynine,anodynin,azophen,fenazone,2,3-dimethyl-1-phenyl-5-pyrazolone PubChem CID: 2206 ChEBI: CHEBI:31225 IUPAC Name: 1,5-dimethyl-2-phenylpyrazol-3-one SMILES: CC1=CC(=O)N(N1C)C2=CC=CC=C2
PubChem CID | 2206 |
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CAS | 60-80-0 |
Molecular Weight (g/mol) | 188.23 |
ChEBI | CHEBI:31225 |
MDL Number | MFCD00003146 |
SMILES | CC1=CC(=O)N(N1C)C2=CC=CC=C2 |
Synonym | antipyrine,phenazone,antipyrin,phenazon,analgesine,anodynine,anodynin,azophen,fenazone,2,3-dimethyl-1-phenyl-5-pyrazolone |
IUPAC Name | 1,5-dimethyl-2-phenylpyrazol-3-one |
InChI Key | VEQOALNAAJBPNY-UHFFFAOYSA-N |
Molecular Formula | C11H12N2O |
4-Aminoantipyrine, 97%, Thermo Scientific Chemicals
CAS: 83-07-8 Molecular Formula: C11H13N3O Molecular Weight (g/mol): 203.245 MDL Number: MFCD00003145 InChI Key: RLFWWDJHLFCNIJ-UHFFFAOYSA-N Synonym: 4-aminoantipyrine,ampyrone,metapirazone,aminoantipyrine,solvapyrin-a,aminoazophene,4-aminophenazone,4-aminoantipyrene,aminoantipyrin,solnapyrin-a PubChem CID: 2151 ChEBI: CHEBI:59026 IUPAC Name: 4-amino-1,5-dimethyl-2-phenylpyrazol-3-one SMILES: CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N
PubChem CID | 2151 |
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CAS | 83-07-8 |
Molecular Weight (g/mol) | 203.245 |
ChEBI | CHEBI:59026 |
MDL Number | MFCD00003145 |
SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N |
Synonym | 4-aminoantipyrine,ampyrone,metapirazone,aminoantipyrine,solvapyrin-a,aminoazophene,4-aminophenazone,4-aminoantipyrene,aminoantipyrin,solnapyrin-a |
IUPAC Name | 4-amino-1,5-dimethyl-2-phenylpyrazol-3-one |
InChI Key | RLFWWDJHLFCNIJ-UHFFFAOYSA-N |
Molecular Formula | C11H13N3O |