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

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

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

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

2-(Propylthio)pyridine-3-carbonyl chloride, 97%, Thermo Scientific™

CAS: 175135-24-7 Molecular Formula: C9H10ClNOS Molecular Weight (g/mol): 215.70 MDL Number: MFCD00052656 InChI Key: FTEUTJYYROCUBI-UHFFFAOYSA-N Synonym: 2-propylthio pyridine-3-carbonyl chloride,2-propylsulfanyl pyridine-3-carbonyl chloride,2-propylthio nicotinoyl chloride,2-propylthiopyridine-3-carbonyl chloride,3-pyridinecarbonylchloride, 2-propylthio,2-propylthio pyridine-3-carbonylchloride PubChem CID: 2774530 IUPAC Name: 2-propylsulfanylpyridine-3-carbonyl chloride SMILES: CCCSC1=C(C=CC=N1)C(Cl)=O

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Specifications

PubChem CID	2774530
CAS	175135-24-7
Molecular Weight (g/mol)	215.70
MDL Number	MFCD00052656
SMILES	CCCSC1=C(C=CC=N1)C(Cl)=O
Synonym	2-propylthio pyridine-3-carbonyl chloride,2-propylsulfanyl pyridine-3-carbonyl chloride,2-propylthio nicotinoyl chloride,2-propylthiopyridine-3-carbonyl chloride,3-pyridinecarbonylchloride, 2-propylthio,2-propylthio pyridine-3-carbonylchloride
IUPAC Name	2-propylsulfanylpyridine-3-carbonyl chloride
InChI Key	FTEUTJYYROCUBI-UHFFFAOYSA-N
Molecular Formula	C9H10ClNOS

ethyle2-amino-4-(4-bromophenyl)-3-thiophenecarboxylate, 97%, Thermo Scientific™

CAS: 306934-99-6 Molecular Formula: C13H12BrNO2S Molecular Weight (g/mol): 326.208 MDL Number: MFCD00435056 InChI Key: SEWFWRCESBYGFS-UHFFFAOYSA-N PubChem CID: 727636 IUPAC Name: ethyl 2-amino-4-(4-bromophenyl)thiophene-3-carboxylate SMILES: CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)Br)N

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Specifications

PubChem CID	727636
CAS	306934-99-6
Molecular Weight (g/mol)	326.208
MDL Number	MFCD00435056
SMILES	CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)Br)N
IUPAC Name	ethyl 2-amino-4-(4-bromophenyl)thiophene-3-carboxylate
InChI Key	SEWFWRCESBYGFS-UHFFFAOYSA-N
Molecular Formula	C13H12BrNO2S

5-Methyl-1-phenyl-1H-pyrazole-4-carboxylic acid, 97%, Thermo Scientific™

CAS: 91138-00-0 Molecular Formula: C11H10N2O2 Molecular Weight (g/mol): 202.213 InChI Key: USSMIQWDLWJQDQ-UHFFFAOYSA-N Synonym: 5-methyl-1-phenyl-1h-pyrazole-4-carboxylic acid,3-methyl-2-phenylpyrazole-4-carboxylic acid,3-methyl-2-phenyl-4-pyrazolecarboxylic acid,akos pao-0331,acmc-20am2c,rarechem al be 1317,maybridge1_002413,buttpark 33\08-16,cbi-bb zero/006129,5-methyl-1-phenyl-1h-pyrazole-4-carboxylicacid PubChem CID: 145221 IUPAC Name: 5-methyl-1-phenylpyrazole-4-carboxylic acid SMILES: CC1=C(C=NN1C2=CC=CC=C2)C(=O)O

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Specifications

PubChem CID	145221
CAS	91138-00-0
Molecular Weight (g/mol)	202.213
SMILES	CC1=C(C=NN1C2=CC=CC=C2)C(=O)O
Synonym	5-methyl-1-phenyl-1h-pyrazole-4-carboxylic acid,3-methyl-2-phenylpyrazole-4-carboxylic acid,3-methyl-2-phenyl-4-pyrazolecarboxylic acid,akos pao-0331,acmc-20am2c,rarechem al be 1317,maybridge1_002413,buttpark 33\08-16,cbi-bb zero/006129,5-methyl-1-phenyl-1h-pyrazole-4-carboxylicacid
IUPAC Name	5-methyl-1-phenylpyrazole-4-carboxylic acid
InChI Key	USSMIQWDLWJQDQ-UHFFFAOYSA-N
Molecular Formula	C11H10N2O2

3,4-Dihydroxy-3-cyclobutene-1,2-dione, 98+%

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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

1-Methyl-5-phenyl-1H-pyrazole-4-carboxylic acid, 97%, Thermo Scientific™

CAS: 105994-75-0 Molecular Formula: C11H10N2O2 Molecular Weight (g/mol): 202.213 MDL Number: MFCD04038957 InChI Key: MXGOKNNGBUOAGF-UHFFFAOYSA-N Synonym: 1-methyl-5-phenyl-1h-pyrazole-4-carboxylic acid,1h-pyrazole-4-carboxylicacid, 1-methyl-5-phenyl,acmc-1c8ot,1h-pyrazole-4-carboxylic acid, 1-methyl-5-phenyl,1ff PubChem CID: 2795474 IUPAC Name: 1-methyl-5-phenylpyrazole-4-carboxylic acid SMILES: CN1C(=C(C=N1)C(=O)O)C2=CC=CC=C2

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Specifications

PubChem CID	2795474
CAS	105994-75-0
Molecular Weight (g/mol)	202.213
MDL Number	MFCD04038957
SMILES	CN1C(=C(C=N1)C(=O)O)C2=CC=CC=C2
Synonym	1-methyl-5-phenyl-1h-pyrazole-4-carboxylic acid,1h-pyrazole-4-carboxylicacid, 1-methyl-5-phenyl,acmc-1c8ot,1h-pyrazole-4-carboxylic acid, 1-methyl-5-phenyl,1ff
IUPAC Name	1-methyl-5-phenylpyrazole-4-carboxylic acid
InChI Key	MXGOKNNGBUOAGF-UHFFFAOYSA-N
Molecular Formula	C11H10N2O2

Vinylogous acids

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