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-Pyrazolecarboxylic acid, 97%

CAS: 37718-11-9 Molecular Formula: C₄H₄N₂O₂ Molecular Weight (g/mol): 112.09 MDL Number: MFCD00011558 InChI Key: IMBBXSASDSZJSX-UHFFFAOYSA-N Synonym: 4-pyrazolecarboxylic acid,4-carboxypyrazole,pyrazole-4-carboxylic acid,unii-4xjz84gv8e,1h-pyrazole-4-carboxylicacid,4-carboxy-1h-pyrazole,4xjz84gv8e,pyrazole-4-carboxylic,pubchem13293,pubchem22749 PubChem CID: 3015937 IUPAC Name: 1H-pyrazole-4-carboxylic acid SMILES: C1=C(C=NN1)C(=O)O

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Specifications

PubChem CID	3015937
CAS	37718-11-9
Molecular Weight (g/mol)	112.09
MDL Number	MFCD00011558
SMILES	C1=C(C=NN1)C(=O)O
Synonym	4-pyrazolecarboxylic acid,4-carboxypyrazole,pyrazole-4-carboxylic acid,unii-4xjz84gv8e,1h-pyrazole-4-carboxylicacid,4-carboxy-1h-pyrazole,4xjz84gv8e,pyrazole-4-carboxylic,pubchem13293,pubchem22749
IUPAC Name	1H-pyrazole-4-carboxylic acid
InChI Key	IMBBXSASDSZJSX-UHFFFAOYSA-N
Molecular Formula	C₄H₄N₂O₂

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

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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Specifications

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

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: 6,7-dihydro-3H-purin-6-one 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
IUPAC Name	6,7-dihydro-3H-purin-6-one
InChI Key	FDGQSTZJBFJUBT-UHFFFAOYSA-N
Molecular Formula	C5H4N4O

Croconic acid, 98%

CAS: 488-86-8 Molecular Formula: C₅H₂O₅ Molecular Weight (g/mol): 142.066 MDL Number: MFCD00181389 InChI Key: RBSLJAJQOVYTRQ-UHFFFAOYSA-N Synonym: croconic acid,crocic acid,4,5-dihydroxy-4-cyclopentene-1,2,3-trione,unii-6hgy35uxaa,6hgy35uxaa,4-cyclopentene-1,2,3-trione, 4,5-dihydroxy,croconicacid,4,5-dihydroxy-4-cyclopentene-1,2,3-trione # PubChem CID: 546874 IUPAC Name: 4,5-dihydroxycyclopent-4-ene-1,2,3-trione SMILES: C1(=C(C(=O)C(=O)C1=O)O)O

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Specifications

PubChem CID	546874
CAS	488-86-8
Molecular Weight (g/mol)	142.066
MDL Number	MFCD00181389
SMILES	C1(=C(C(=O)C(=O)C1=O)O)O
Synonym	croconic acid,crocic acid,4,5-dihydroxy-4-cyclopentene-1,2,3-trione,unii-6hgy35uxaa,6hgy35uxaa,4-cyclopentene-1,2,3-trione, 4,5-dihydroxy,croconicacid,4,5-dihydroxy-4-cyclopentene-1,2,3-trione #
IUPAC Name	4,5-dihydroxycyclopent-4-ene-1,2,3-trione
InChI Key	RBSLJAJQOVYTRQ-UHFFFAOYSA-N
Molecular Formula	C₅H₂O₅

Isatoic anhydride, 97%

CAS: 118-48-9 Molecular Formula: C8H5NO3 Molecular Weight (g/mol): 163.13 MDL Number: MFCD00006700 InChI Key: TXJUTRJFNRYTHH-UHFFFAOYSA-N Synonym: isatoic anhydride,2h-3,1-benzoxazine-2,4 1h-dione,1h-benzo d 1,3 oxazine-2,4-dione,isatoic acid anhydride,4h-3,1-benzoxazine-2,4 1h-dione,isato acid anhydride,n-carboxyanthranilic anhydride,unii-r8tfa74y4u,3,1-benzoxazine-2,4 1h-dione,anthranilic acid, n-carboxy-, cyclic anhydride PubChem CID: 8359 SMILES: O=C1NC2=CC=CC=C2C(=O)O1

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Specifications

PubChem CID	8359
CAS	118-48-9
Molecular Weight (g/mol)	163.13
MDL Number	MFCD00006700
SMILES	O=C1NC2=CC=CC=C2C(=O)O1
Synonym	isatoic anhydride,2h-3,1-benzoxazine-2,4 1h-dione,1h-benzo d 1,3 oxazine-2,4-dione,isatoic acid anhydride,4h-3,1-benzoxazine-2,4 1h-dione,isato acid anhydride,n-carboxyanthranilic anhydride,unii-r8tfa74y4u,3,1-benzoxazine-2,4 1h-dione,anthranilic acid, n-carboxy-, cyclic anhydride
InChI Key	TXJUTRJFNRYTHH-UHFFFAOYSA-N
Molecular Formula	C8H5NO3

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	3,7-dihydropurin-6-one
InChI Key	FDGQSTZJBFJUBT-UHFFFAOYSA-N
Molecular Formula	C5H4N4O

Hypoxanthine, 99.5%

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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

Isatoic anhydride, 98%

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Specifications

PubChem CID	8359
CAS	118-48-9
Molecular Weight (g/mol)	163.13
MDL Number	MFCD00006700
SMILES	O=C1NC2=CC=CC=C2C(=O)O1
Synonym	isatoic anhydride,2h-3,1-benzoxazine-2,4 1h-dione,1h-benzo d 1,3 oxazine-2,4-dione,isatoic acid anhydride,4h-3,1-benzoxazine-2,4 1h-dione,isato acid anhydride,n-carboxyanthranilic anhydride,unii-r8tfa74y4u,3,1-benzoxazine-2,4 1h-dione,anthranilic acid, n-carboxy-, cyclic anhydride
InChI Key	TXJUTRJFNRYTHH-UHFFFAOYSA-N
Molecular Formula	C8H5NO3

Antipyrine, 98%

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

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Specifications

PubChem CID	2206
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

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

Diethyl Ethoxymethylenemalonate, 99+%

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

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Specifications

PubChem CID	6871
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

Methyle3-hydroxybenzo[b]thiophene-2-carboxylate, 97%, Thermo Scientific™

CAS: 13134-76-4 Molecular Formula: C10H8O3S Molecular Weight (g/mol): 208.23 MDL Number: MFCD00067732 InChI Key: JVUOTPTULVZUTL-KTKRTIGZSA-N Synonym: methyl 3-hydroxybenzo b thiophene-2-carboxylate,methyl 3-hydroxybenzo b thiophene-3-carboxylate,2-hydroxy methoxy methylidene-1-benzothiophen-3-one,2z-2-hydroxy methoxy methylidene-1-benzothiophen-3-one,benzo b thiophene-2-carboxylicacid, 3-hydroxy-, methyl ester,benzo b thiophene-2-carboxylic acid, 3-hydroxy-, methyl ester,maybridge4_000295,methyl 3-hydroxy-benzothiophene2-carboxylate PubChem CID: 83165 SMILES: CO\C(O)=C1/SC2=CC=CC=C2C1=O

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Specifications

PubChem CID	83165
CAS	13134-76-4
Molecular Weight (g/mol)	208.23
MDL Number	MFCD00067732
SMILES	CO\C(O)=C1/SC2=CC=CC=C2C1=O
Synonym	methyl 3-hydroxybenzo b thiophene-2-carboxylate,methyl 3-hydroxybenzo b thiophene-3-carboxylate,2-hydroxy methoxy methylidene-1-benzothiophen-3-one,2z-2-hydroxy methoxy methylidene-1-benzothiophen-3-one,benzo b thiophene-2-carboxylicacid, 3-hydroxy-, methyl ester,benzo b thiophene-2-carboxylic acid, 3-hydroxy-, methyl ester,maybridge4_000295,methyl 3-hydroxy-benzothiophene2-carboxylate
InChI Key	JVUOTPTULVZUTL-KTKRTIGZSA-N
Molecular Formula	C10H8O3S

7-Benzyloxy-6-methoxy-4(3H)-quinazolinone, 96%

CAS: 179688-01-8 Molecular Formula: C16H14N2O3 Molecular Weight (g/mol): 282.299 MDL Number: MFCD04115119 InChI Key: ZCUFFSHMOAEEIL-UHFFFAOYSA-N Synonym: 7-benzyloxy-6-methoxyquinazolin-4 3h-one,6-methoxy-7-benzyloxyquinazolin-4-one,7-benzyloxy-6-methoxy-3h-quinazolin-4-one,7-benzyloxy-6-methoxyquinazolin-4-ol,7-benzyloxy-6-methoxyquinazolin-4 1h-one,4 3h-quinazolinone, 6-methoxy-7-phenylmethoxy,7-benzyloxy-6-methoxy-4 3h-quinazolinone,4 1h-quinazolinone, 6-methoxy-7-phenylmethoxy PubChem CID: 10540849 IUPAC Name: 6-methoxy-7-phenylmethoxy-1H-quinazolin-4-one SMILES: COC1=C(C=C2C(=C1)C(=O)N=CN2)OCC3=CC=CC=C3

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Specifications

PubChem CID	10540849
CAS	179688-01-8
Molecular Weight (g/mol)	282.299
MDL Number	MFCD04115119
SMILES	COC1=C(C=C2C(=C1)C(=O)N=CN2)OCC3=CC=CC=C3
Synonym	7-benzyloxy-6-methoxyquinazolin-4 3h-one,6-methoxy-7-benzyloxyquinazolin-4-one,7-benzyloxy-6-methoxy-3h-quinazolin-4-one,7-benzyloxy-6-methoxyquinazolin-4-ol,7-benzyloxy-6-methoxyquinazolin-4 1h-one,4 3h-quinazolinone, 6-methoxy-7-phenylmethoxy,7-benzyloxy-6-methoxy-4 3h-quinazolinone,4 1h-quinazolinone, 6-methoxy-7-phenylmethoxy
IUPAC Name	6-methoxy-7-phenylmethoxy-1H-quinazolin-4-one
InChI Key	ZCUFFSHMOAEEIL-UHFFFAOYSA-N
Molecular Formula	C16H14N2O3

Vinylogous acids

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