Vinylogous acids

Organic compounds that contain one or more hydroxyl groups indirectly attached to a carbonyl group via an intervening vinyl functional group (-C=C-; also known as carbon - carbon double bond).

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4-Aminoantipyrine, 98%

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

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Specifications

PubChem CID	2151
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

4-Aminoantipyrine, 97%

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

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Specifications

PubChem CID	2151
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

3-O-Ethyl-L-ascorbic Acid 98.0+%, TCI America™

CAS: 86404-04-8 Molecular Formula: C8H12O6 Molecular Weight (g/mol): 204.178 MDL Number: MFCD09261382 InChI Key: ZGSCRDSBTNQPMS-UJURSFKZSA-N PubChem CID: 150736 IUPAC Name: (2R)-2-[(1S)-1,2-dihydroxyethyl]-3-ethoxy-4-hydroxy-2H-furan-5-one SMILES: CCOC1=C(C(=O)OC1C(CO)O)O

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Specifications

PubChem CID	150736
CAS	86404-04-8
Molecular Weight (g/mol)	204.178
MDL Number	MFCD09261382
SMILES	CCOC1=C(C(=O)OC1C(CO)O)O
IUPAC Name	(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-ethoxy-4-hydroxy-2H-furan-5-one
InChI Key	ZGSCRDSBTNQPMS-UJURSFKZSA-N
Molecular Formula	C8H12O6

Hypoxanthine, 99.5%

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

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Specifications

PubChem CID	790
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

Mycophenolate mofetil, 98%

CAS: 128794-94-5 Molecular Formula: C₂₃H₃₁NO₇ Molecular Weight (g/mol): 433.5 InChI Key: RTGDFNSFWBGLEC-SYZQJQIISA-N Synonym: mycophenolate mofetil,cellcept,munoloc,myfenax,mycophenolic acid morpholinoethyl ester,tm-mmf,mycophenylate mofetil,mycophenolatemofetil,cellcept tn,unii-9242ecw6r0 PubChem CID: 5281078 ChEBI: CHEBI:8764 IUPAC Name: 2-morpholin-4-ylethyl (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoate SMILES: CC1=C(C(=C(C2=C1COC2=O)O)CC=C(C)CCC(=O)OCCN3CCOCC3)OC

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PubChem CID	5281078
CAS	128794-94-5
Molecular Weight (g/mol)	433.5
ChEBI	CHEBI:8764
SMILES	CC1=C(C(=C(C2=C1COC2=O)O)CC=C(C)CCC(=O)OCCN3CCOCC3)OC
Synonym	mycophenolate mofetil,cellcept,munoloc,myfenax,mycophenolic acid morpholinoethyl ester,tm-mmf,mycophenylate mofetil,mycophenolatemofetil,cellcept tn,unii-9242ecw6r0
IUPAC Name	2-morpholin-4-ylethyl (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoate
InChI Key	RTGDFNSFWBGLEC-SYZQJQIISA-N
Molecular Formula	C₂₃H₃₁NO₇

Hypoxanthine Disodium Salt, MP Biomedicals

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Specifications

PubChem CID	790
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	6,7-dihydro-3H-purin-6-one
InChI Key	FDGQSTZJBFJUBT-UHFFFAOYSA-N
Molecular Formula	C5H4N4O

4-Ethoxymethylene-2-phenyloxazolin-5-one, 98+%

CAS: 15646-46-5 Molecular Formula: C12H11NO3 Molecular Weight (g/mol): 217.224 MDL Number: MFCD00003204 InChI Key: SJHPCNCNNSSLPL-NTMALXAHSA-N Synonym: oxazolone,oxazolone sensitizing agent,5 4h-oxazolone, 4-ethoxymethylene-2-phenyl,unii-78il0j7n72,4-ethoxymethylene-2-phenyl-2-oxazolin-5-one,4-ethoxymethylene-2-phenyloxazolin-5-one,4-ethoxymethylene-2-phenyl-2-oxazoline-5-one,4z-4-ethoxymethylidene-2-phenyl-1,3-oxazol-5-one,2-oxazolin-5-one, 4-ethoxymethylene-2-phenyl,4-ethoxymethylene-2-phenyloxazolone PubChem CID: 1712094 IUPAC Name: (4Z)-4-(ethoxymethylidene)-2-phenyl-1,3-oxazol-5-one SMILES: CCOC=C1C(=O)OC(=N1)C2=CC=CC=C2

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Specifications

PubChem CID	1712094
CAS	15646-46-5
Molecular Weight (g/mol)	217.224
MDL Number	MFCD00003204
SMILES	CCOC=C1C(=O)OC(=N1)C2=CC=CC=C2
Synonym	oxazolone,oxazolone sensitizing agent,5 4h-oxazolone, 4-ethoxymethylene-2-phenyl,unii-78il0j7n72,4-ethoxymethylene-2-phenyl-2-oxazolin-5-one,4-ethoxymethylene-2-phenyloxazolin-5-one,4-ethoxymethylene-2-phenyl-2-oxazoline-5-one,4z-4-ethoxymethylidene-2-phenyl-1,3-oxazol-5-one,2-oxazolin-5-one, 4-ethoxymethylene-2-phenyl,4-ethoxymethylene-2-phenyloxazolone
IUPAC Name	(4Z)-4-(ethoxymethylidene)-2-phenyl-1,3-oxazol-5-one
InChI Key	SJHPCNCNNSSLPL-NTMALXAHSA-N
Molecular Formula	C12H11NO3

4-Aminoantipyrine, 99%, MP Biomedicals™

Molecular Formula: C11H13N3O InChI Key: RLFWWDJHLFCNIJ-UHFFFAOYSA-N PubChem CID: 2151

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Specifications

PubChem CID	2151
InChI Key	RLFWWDJHLFCNIJ-UHFFFAOYSA-N
Molecular Formula	C11H13N3O

3,4-Dihydroxy-3-cyclobutene-1,2-dione 98.0+%, TCI America™

CAS: 2892-51-5 Molecular Formula: C4H2O4 Molecular Weight (g/mol): 114.056 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

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Specifications

PubChem CID	17913
CAS	2892-51-5
Molecular Weight (g/mol)	114.056
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
Molecular Formula	C4H2O4

Dimethyl 3,4-dihydroxypyrrole-2,5-dicarboxylate, 97%

CAS: 1632-19-5 Molecular Formula: C8H9NO6 Molecular Weight (g/mol): 215.161 MDL Number: MFCD00276587 InChI Key: QCPBGHYMHYWRHG-UHFFFAOYSA-N Synonym: dimethyl 3,4-dihydroxypyrrole-2,5-dicarboxylate,maybridge4_003392,acmc-20al76,2,5-bis hydroxy methoxy methylidene pyrrolidine-3,4-dione,2,5-dimethyl 3,4-dihydroxy-1h-pyrrole-2,5-dicarboxylate,methyl 3,4-dihydroxy-5-methoxycarbonyl pyrrole-2-carboxylate,2z,5z-2,5-bis hydroxy methoxy methylidene pyrrolidine-3,4-dione,1h-pyrrole-2,5-dicarboxylicacid, 3,4-dihydroxy-, 2,5-dimethyl ester PubChem CID: 2727733 IUPAC Name: dimethyl 3,4-dihydroxy-1H-pyrrole-2,5-dicarboxylate SMILES: COC(=O)C1=C(C(=C(N1)C(=O)OC)O)O

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Specifications

PubChem CID	2727733
CAS	1632-19-5
Molecular Weight (g/mol)	215.161
MDL Number	MFCD00276587
SMILES	COC(=O)C1=C(C(=C(N1)C(=O)OC)O)O
Synonym	dimethyl 3,4-dihydroxypyrrole-2,5-dicarboxylate,maybridge4_003392,acmc-20al76,2,5-bis hydroxy methoxy methylidene pyrrolidine-3,4-dione,2,5-dimethyl 3,4-dihydroxy-1h-pyrrole-2,5-dicarboxylate,methyl 3,4-dihydroxy-5-methoxycarbonyl pyrrole-2-carboxylate,2z,5z-2,5-bis hydroxy methoxy methylidene pyrrolidine-3,4-dione,1h-pyrrole-2,5-dicarboxylicacid, 3,4-dihydroxy-, 2,5-dimethyl ester
IUPAC Name	dimethyl 3,4-dihydroxy-1H-pyrrole-2,5-dicarboxylate
InChI Key	QCPBGHYMHYWRHG-UHFFFAOYSA-N
Molecular Formula	C8H9NO6

Methyl 2-oxoindoline-7-carboxylate, 96%, Thermo Scientific Chemicals

CAS: 380427-39-4 Molecular Formula: C10H9NO3 Molecular Weight (g/mol): 191.186 MDL Number: MFCD02179610 InChI Key: XVJRNLIMSQFUAI-UHFFFAOYSA-N Synonym: methyl 2-oxoindoline-7-carboxylate,methyl oxindole-7-carboxylate,methyl 2-oxo-2,3-dihydro-1h-indole-7-carboxylate,1h-indole-7-carboxylic acid, 2,3-dihydro-2-oxo-, methyl ester,acmc-1aje4,methyl oxindole-7-carboxylate,,methyl 2-oxindole-7-carboxylate,2-oxyindole-7-carboxylic acid methyl ester,1h-indole-7-carboxylicacid, 2,3-dihydro-2-oxo-, methyl ester PubChem CID: 2773518 IUPAC Name: methyl 2-oxo-1,3-dihydroindole-7-carboxylate SMILES: COC(=O)C1=C2C(=CC=C1)CC(=O)N2

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Specifications

PubChem CID	2773518
CAS	380427-39-4
Molecular Weight (g/mol)	191.186
MDL Number	MFCD02179610
SMILES	COC(=O)C1=C2C(=CC=C1)CC(=O)N2
Synonym	methyl 2-oxoindoline-7-carboxylate,methyl oxindole-7-carboxylate,methyl 2-oxo-2,3-dihydro-1h-indole-7-carboxylate,1h-indole-7-carboxylic acid, 2,3-dihydro-2-oxo-, methyl ester,acmc-1aje4,methyl oxindole-7-carboxylate,,methyl 2-oxindole-7-carboxylate,2-oxyindole-7-carboxylic acid methyl ester,1h-indole-7-carboxylicacid, 2,3-dihydro-2-oxo-, methyl ester
IUPAC Name	methyl 2-oxo-1,3-dihydroindole-7-carboxylate
InChI Key	XVJRNLIMSQFUAI-UHFFFAOYSA-N
Molecular Formula	C10H9NO3

4-Hydroxy-6-methyl-2-pyrone, 98%

CAS: 675-10-5 Molecular Formula: C6H6O3 Molecular Weight (g/mol): 126.11 MDL Number: MFCD00006641,MFCD18820248 InChI Key: OOKCZXGEYPSNIM-UHFFFAOYSA-N Synonym: 4-hydroxy-6-methyl-2-pyrone,2-hydroxy-6-methyl-4h-pyran-4-one,4-hydroxy-6-methyl-2h-pyran-2-one,triacetic acid lactone,triacetate lactone,2h-pyran-2-one, 4-hydroxy-6-methyl,6-methyl-4-hydroxypyron-2,unii-s1s883s4ee,6-methyl-4-hydroxy-2-pyrone,ccris 3600 PubChem CID: 54675757 ChEBI: CHEBI:16458 IUPAC Name: 4-hydroxy-6-methylpyran-2-one SMILES: CC1=CC(=O)C=C(O)O1

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Specifications

PubChem CID	54675757
CAS	675-10-5
Molecular Weight (g/mol)	126.11
ChEBI	CHEBI:16458
MDL Number	MFCD00006641,MFCD18820248
SMILES	CC1=CC(=O)C=C(O)O1
Synonym	4-hydroxy-6-methyl-2-pyrone,2-hydroxy-6-methyl-4h-pyran-4-one,4-hydroxy-6-methyl-2h-pyran-2-one,triacetic acid lactone,triacetate lactone,2h-pyran-2-one, 4-hydroxy-6-methyl,6-methyl-4-hydroxypyron-2,unii-s1s883s4ee,6-methyl-4-hydroxy-2-pyrone,ccris 3600
IUPAC Name	4-hydroxy-6-methylpyran-2-one
InChI Key	OOKCZXGEYPSNIM-UHFFFAOYSA-N
Molecular Formula	C6H6O3

Ethyl (E)-2-cyano-3-ethoxycrotonate, 98%

CAS: 932750-29-3 Molecular Formula: C9H13NO3 Molecular Weight (g/mol): 183.207 MDL Number: MFCD01743485 InChI Key: YKXFOGAYPIPTKF-BQYQJAHWSA-N Synonym: ethyl 2e-2-cyano-3-ethoxybut-2-enoate,ethyl e-2-cyano-3-ethoxycrotonate,ethyl 2-cyano-3-ethoxybut-2-enoate,2-butenoic acid, 2-cyano-3-ethoxy-, ethyl ester,ethyl e-2-cyano-3-ethoxybut-2-enoate,e-ethyl 2-cyano-3-ethoxybut-2-enoate,ethyl e-2-cyano-3-ethoxy-2-butenoate,e-2-cyano-3-ethoxycrotonic acid ethyl ester,e-2-cyano-3-ethoxy-2-butenoic acid ethyl ester PubChem CID: 6387109 IUPAC Name: ethyl (E)-2-cyano-3-ethoxybut-2-enoate SMILES: CCOC(=C(C#N)C(=O)OCC)C

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Specifications

PubChem CID	6387109
CAS	932750-29-3
Molecular Weight (g/mol)	183.207
MDL Number	MFCD01743485
SMILES	CCOC(=C(C#N)C(=O)OCC)C
Synonym	ethyl 2e-2-cyano-3-ethoxybut-2-enoate,ethyl e-2-cyano-3-ethoxycrotonate,ethyl 2-cyano-3-ethoxybut-2-enoate,2-butenoic acid, 2-cyano-3-ethoxy-, ethyl ester,ethyl e-2-cyano-3-ethoxybut-2-enoate,e-ethyl 2-cyano-3-ethoxybut-2-enoate,ethyl e-2-cyano-3-ethoxy-2-butenoate,e-2-cyano-3-ethoxycrotonic acid ethyl ester,e-2-cyano-3-ethoxy-2-butenoic acid ethyl ester
IUPAC Name	ethyl (E)-2-cyano-3-ethoxybut-2-enoate
InChI Key	YKXFOGAYPIPTKF-BQYQJAHWSA-N
Molecular Formula	C9H13NO3

Ethyl 2-amino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, 96%

CAS: 4815-29-6 Molecular Formula: C10H13NO2S Molecular Weight (g/mol): 211.28 MDL Number: MFCD00102063 InChI Key: BOJXCJDYZJSPMZ-UHFFFAOYSA-N Synonym: ethyl 2-amino-5,6-dihydro-4h-cyclopenta b thiophene-3-carboxylate,2-amino-5,6-dihydro-4h-cyclopenta b thiophene-3-carboxylic acid ethyl ester,ethyl 2-amino-4h,5h,6h-cyclopenta b thiophene-3-carboxylate,ethyl 2-aminocyclopenta b thiophene-3-carboxylate,ethyl 2-amino-5,6-dihydro-4h-cyclopenta b-thiophene-3-carboxylate,4h-cyclopenta b thiophene-3-carboxylic acid, 2-amino-5,6-dihydro-, ethyl ester,ethyl 2-amino-4,5,6-trihydrocyclopenta 1,2-b thiophene-3-carboxylate,enamine_004067,ethyl 2-aminocyclopentathiophene-3-carboxylate PubChem CID: 264105 IUPAC Name: ethyl 2-amino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate SMILES: CCOC(=O)C1=C(N)SC2=C1CCC2

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Specifications

PubChem CID	264105
CAS	4815-29-6
Molecular Weight (g/mol)	211.28
MDL Number	MFCD00102063
SMILES	CCOC(=O)C1=C(N)SC2=C1CCC2
Synonym	ethyl 2-amino-5,6-dihydro-4h-cyclopenta b thiophene-3-carboxylate,2-amino-5,6-dihydro-4h-cyclopenta b thiophene-3-carboxylic acid ethyl ester,ethyl 2-amino-4h,5h,6h-cyclopenta b thiophene-3-carboxylate,ethyl 2-aminocyclopenta b thiophene-3-carboxylate,ethyl 2-amino-5,6-dihydro-4h-cyclopenta b-thiophene-3-carboxylate,4h-cyclopenta b thiophene-3-carboxylic acid, 2-amino-5,6-dihydro-, ethyl ester,ethyl 2-amino-4,5,6-trihydrocyclopenta 1,2-b thiophene-3-carboxylate,enamine_004067,ethyl 2-aminocyclopentathiophene-3-carboxylate
IUPAC Name	ethyl 2-amino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
InChI Key	BOJXCJDYZJSPMZ-UHFFFAOYSA-N
Molecular Formula	C10H13NO2S

PubChem CID	54675757
CAS	675-10-5
Molecular Weight (g/mol)	126.11
ChEBI	CHEBI:16458
MDL Number	MFCD00006641,MFCD18820248
SMILES	CC1=CC(=O)C=C(O)O1
Synonym	4-hydroxy-6-methyl-2-pyrone,2-hydroxy-6-methyl-4h-pyran-4-one,4-hydroxy-6-methyl-2h-pyran-2-one,triacetic acid lactone,triacetate lactone,2h-pyran-2-one, 4-hydroxy-6-methyl,6-methyl-4-hydroxypyron-2,unii-s1s883s4ee,6-methyl-4-hydroxy-2-pyrone,ccris 3600
IUPAC Name	4-hydroxy-6-methylpyran-2-one
InChI Key	OOKCZXGEYPSNIM-UHFFFAOYSA-N
Molecular Formula	C6H6O3

Vinylogous acids

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