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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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

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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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

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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

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

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

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

7-Chloro-6-nitro-4(3H)-quinazolinone, 97%, Thermo Scientific™

CAS: 53449-14-2 Molecular Formula: C₈H₄ClN₃O₃ Molecular Weight (g/mol): 225.59 InChI Key: URDYTQYZXZKBQT-UHFFFAOYSA-N Synonym: 7-chloro-6-nitroquinazolin-4 3h-one,7-chloro-4-hydroxy-6-nitroquinazoline,7-chloro-6-nitro-4-hydroxyquinazoline,6-nitro-7-chloro-4-hydroxyquinazoline,7-chloro-6-nitroquinazolin-4-ol,7-chloro-6-nitroquinazolin-4-one,7-chloro-6-nitro-quinazolin-4-one,7-chloro-6-nitro-3h-quinazolin-4-one,4 1h-quinazolinone, 7-chloro-6-nitro,7-chloro-6-nitro-3,4-dihydroquinazolin-4-one PubChem CID: 12441237 IUPAC Name: 7-chloro-6-nitro-1H-quinazolin-4-one SMILES: C1=C2C(=CC(=C1[N+](=O)[O-])Cl)NC=NC2=O

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Specifications

PubChem CID	12441237
CAS	53449-14-2
Molecular Weight (g/mol)	225.59
SMILES	C1=C2C(=CC(=C1[N+](=O)[O-])Cl)NC=NC2=O
Synonym	7-chloro-6-nitroquinazolin-4 3h-one,7-chloro-4-hydroxy-6-nitroquinazoline,7-chloro-6-nitro-4-hydroxyquinazoline,6-nitro-7-chloro-4-hydroxyquinazoline,7-chloro-6-nitroquinazolin-4-ol,7-chloro-6-nitroquinazolin-4-one,7-chloro-6-nitro-quinazolin-4-one,7-chloro-6-nitro-3h-quinazolin-4-one,4 1h-quinazolinone, 7-chloro-6-nitro,7-chloro-6-nitro-3,4-dihydroquinazolin-4-one
IUPAC Name	7-chloro-6-nitro-1H-quinazolin-4-one
InChI Key	URDYTQYZXZKBQT-UHFFFAOYSA-N
Molecular Formula	C₈H₄ClN₃O₃

Ethyl 2-aminothiophene-3-carboxylate, 97%

CAS: 31891-06-2 Molecular Formula: C7H9NO2S Molecular Weight (g/mol): 171.214 MDL Number: MFCD01566303 InChI Key: MKJQYFVTEPGXIE-UHFFFAOYSA-N Synonym: 2-amino-thiophene-3-carboxylic acid ethyl ester,2-aminothiophene-3-carboxylic acid ethyl ester,ethyl2-aminothiophene-3-carboxylate,2-amino-3-ethoxycarbonylthiophene,ethyl 2-amino-3-thiophenecarboxylate,2-aminothiophene-3-carboxylate,3-thiophenecarboxylic acid, 2-amino-, ethyl ester,pubchem22914,acmc-209hpg,ethyl 2-amino-3-thenoate PubChem CID: 1988156 IUPAC Name: ethyl 2-aminothiophene-3-carboxylate SMILES: CCOC(=O)C1=C(SC=C1)N

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Specifications

PubChem CID	1988156
CAS	31891-06-2
Molecular Weight (g/mol)	171.214
MDL Number	MFCD01566303
SMILES	CCOC(=O)C1=C(SC=C1)N
Synonym	2-amino-thiophene-3-carboxylic acid ethyl ester,2-aminothiophene-3-carboxylic acid ethyl ester,ethyl2-aminothiophene-3-carboxylate,2-amino-3-ethoxycarbonylthiophene,ethyl 2-amino-3-thiophenecarboxylate,2-aminothiophene-3-carboxylate,3-thiophenecarboxylic acid, 2-amino-, ethyl ester,pubchem22914,acmc-209hpg,ethyl 2-amino-3-thenoate
IUPAC Name	ethyl 2-aminothiophene-3-carboxylate
InChI Key	MKJQYFVTEPGXIE-UHFFFAOYSA-N
Molecular Formula	C7H9NO2S

1H-Indole-7-carboxylic acid, 90%, Thermo Scientific™

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Thermo Scientific Chemicals Khellin, 95%

CAS: 82-02-0 Molecular Formula: C14H12O5 Molecular Weight (g/mol): 260.25 InChI Key: HSMPDPBYAYSOBC-UHFFFAOYSA-N IUPAC Name: 4,9-dimethoxy-7-methyl-5H-furo[3,2-g]chromen-5-one SMILES: COC1=C2OC=CC2=C(OC)C2=C1OC(C)=CC2=O

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Specifications

CAS	82-02-0
Molecular Weight (g/mol)	260.25
SMILES	COC1=C2OC=CC2=C(OC)C2=C1OC(C)=CC2=O
IUPAC Name	4,9-dimethoxy-7-methyl-5H-furo[3,2-g]chromen-5-one
InChI Key	HSMPDPBYAYSOBC-UHFFFAOYSA-N
Molecular Formula	C14H12O5

5-Phenyl-1H-pyrazole-4-carboxylic acid, 97%

CAS: 5504-65-4 Molecular Formula: C10H8N2O2 Molecular Weight (g/mol): 188.19 MDL Number: MFCD06798067,MFCD03834501 InChI Key: LGTJKUYVFSBOMC-UHFFFAOYSA-N Synonym: 3-phenyl-1h-pyrazole-4-carboxylic acid,3-phenylpyrazole-4-carboxylic acid,3-phenyl-2h-pyrazole-4-carboxylic acid,5-phenylpyrazole-4-carboxylic acid PubChem CID: 4138562 IUPAC Name: 5-phenyl-1H-pyrazole-4-carboxylic acid SMILES: OC(=O)C1=C(NN=C1)C1=CC=CC=C1

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Specifications

PubChem CID	4138562
CAS	5504-65-4
Molecular Weight (g/mol)	188.19
MDL Number	MFCD06798067,MFCD03834501
SMILES	OC(=O)C1=C(NN=C1)C1=CC=CC=C1
Synonym	3-phenyl-1h-pyrazole-4-carboxylic acid,3-phenylpyrazole-4-carboxylic acid,3-phenyl-2h-pyrazole-4-carboxylic acid,5-phenylpyrazole-4-carboxylic acid
IUPAC Name	5-phenyl-1H-pyrazole-4-carboxylic acid
InChI Key	LGTJKUYVFSBOMC-UHFFFAOYSA-N
Molecular Formula	C10H8N2O2

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

Vinylogous acids

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