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-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

4-Aminoantipyrine, ≥98.0%, MilliporeSigma™ Supelco™

MDL Number: MFCD00003145 Synonym: 4-Amino-2,3-dimethyl-1-phenyl-3-pyrazolin-5-one; Ampyrone

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Specifications

MDL Number	MFCD00003145
Synonym	4-Amino-2,3-dimethyl-1-phenyl-3-pyrazolin-5-one; Ampyrone

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

Ethyl 4-bromo-3-ethoxy-2-butenoate, tech. 90%, stab. with sodium carbonate

CAS: 1116-50-3 Molecular Formula: C8H13BrO3 Molecular Weight (g/mol): 237.09 MDL Number: MFCD00051757 InChI Key: FYYMWILFRUUBCX-UHFFFAOYSA-N Synonym: ethyl 4-bromo-3-ethoxybut-2-enoate,ethyl 4-bromo-3-ethoxy-2-butenoate,ethyl 2e-4-bromo-3-ethoxybut-2-enoate,ethyl e-4-bromo-3-ethoxybut-2-enoate PubChem CID: 6376123 SMILES: CCOC(=O)C=C(CBr)OCC

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Specifications

PubChem CID	6376123
CAS	1116-50-3
Molecular Weight (g/mol)	237.09
MDL Number	MFCD00051757
SMILES	CCOC(=O)C=C(CBr)OCC
Synonym	ethyl 4-bromo-3-ethoxybut-2-enoate,ethyl 4-bromo-3-ethoxy-2-butenoate,ethyl 2e-4-bromo-3-ethoxybut-2-enoate,ethyl e-4-bromo-3-ethoxybut-2-enoate
InChI Key	FYYMWILFRUUBCX-UHFFFAOYSA-N
Molecular Formula	C8H13BrO3

5-Hydroxyquinoline, 99%

CAS: 578-67-6 Molecular Formula: C9H7NO Molecular Weight (g/mol): 145.161 MDL Number: MFCD00006792 InChI Key: GVNQVWJYDXOLST-UHFFFAOYSA-N Synonym: 5-hydroxyquinoline,quinolin-5-ol,5-quinolinol,5-chinolinol,ccris 4330,gyesayhwismzok-uhfffaoysa-n,5-hydroxyquinoline 5-quinolinol,quinolin-5-one,5-hyroxyquinoline,5-hydroxy quinoline PubChem CID: 11360 IUPAC Name: 1H-quinolin-5-one SMILES: C1=CC(=O)C2=CC=CNC2=C1

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Specifications

PubChem CID	11360
CAS	578-67-6
Molecular Weight (g/mol)	145.161
MDL Number	MFCD00006792
SMILES	C1=CC(=O)C2=CC=CNC2=C1
Synonym	5-hydroxyquinoline,quinolin-5-ol,5-quinolinol,5-chinolinol,ccris 4330,gyesayhwismzok-uhfffaoysa-n,5-hydroxyquinoline 5-quinolinol,quinolin-5-one,5-hyroxyquinoline,5-hydroxy quinoline
IUPAC Name	1H-quinolin-5-one
InChI Key	GVNQVWJYDXOLST-UHFFFAOYSA-N
Molecular Formula	C9H7NO

Hypoxanthine, 99%

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

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

3-Amino-1H-pyrazole-4-carboxylic acid, 95%, Thermo Scientific Chemicals

CAS: 41680-34-6 Molecular Formula: C4H5N3O2 Molecular Weight (g/mol): 127.103 MDL Number: MFCD00005239 InChI Key: KMRVTZLKQPFHFS-UHFFFAOYSA-N Synonym: 3-amino-1h-pyrazole-4-carboxylic acid,3-aminopyrazole-4-carboxylic acid,3-amino-4-pyrazolecarboxylic acid,3-amino-4-carboxypyrazole,1h-pyrazole-4-carboxylic acid, 3-amino,4-pyrazolecarboxylic acid, 3-amino,pyrazole-4-carboxylic acid, 3-amino,3-aminopyrazole-4-carboxylicacid,3-amino-4-pyrazole carboxylic acid,5-aminopyrazole-4-carboxylic acid PubChem CID: 96774 IUPAC Name: 5-amino-1H-pyrazole-4-carboxylic acid SMILES: C1=NNC(=C1C(=O)O)N

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Specifications

PubChem CID	96774
CAS	41680-34-6
Molecular Weight (g/mol)	127.103
MDL Number	MFCD00005239
SMILES	C1=NNC(=C1C(=O)O)N
Synonym	3-amino-1h-pyrazole-4-carboxylic acid,3-aminopyrazole-4-carboxylic acid,3-amino-4-pyrazolecarboxylic acid,3-amino-4-carboxypyrazole,1h-pyrazole-4-carboxylic acid, 3-amino,4-pyrazolecarboxylic acid, 3-amino,pyrazole-4-carboxylic acid, 3-amino,3-aminopyrazole-4-carboxylicacid,3-amino-4-pyrazole carboxylic acid,5-aminopyrazole-4-carboxylic acid
IUPAC Name	5-amino-1H-pyrazole-4-carboxylic acid
InChI Key	KMRVTZLKQPFHFS-UHFFFAOYSA-N
Molecular Formula	C4H5N3O2

4-Hydroxy-3,6-dimethyl-2-pyrone, 97%

CAS: 5192-62-1 Molecular Formula: C7H8O3 Molecular Weight (g/mol): 140.138 MDL Number: MFCD00090424 InChI Key: VVBIGJOVPZMWGU-UHFFFAOYSA-N Synonym: 4-hydroxy-3,6-dimethyl-2h-pyran-2-one,3,6-dimethyl-4-hydroxy-2-pyrone,chembl51918,2h-pyran-2-one, 4-hydroxy-3,6-dimethyl,2-hydroxy-3,6-dimethylpyran-4-one,hdmpo,2-hydroxy-3,6-dimethyl-4h-pyran-4-one,acmc-20amh7,methyl triacetic lactone,4-hydroxy-3,6-dimethyl-2-pyrone PubChem CID: 54690337 IUPAC Name: 4-hydroxy-3,6-dimethylpyran-2-one SMILES: CC1=CC(=C(C(=O)O1)C)O

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Specifications

PubChem CID	54690337
CAS	5192-62-1
Molecular Weight (g/mol)	140.138
MDL Number	MFCD00090424
SMILES	CC1=CC(=C(C(=O)O1)C)O
Synonym	4-hydroxy-3,6-dimethyl-2h-pyran-2-one,3,6-dimethyl-4-hydroxy-2-pyrone,chembl51918,2h-pyran-2-one, 4-hydroxy-3,6-dimethyl,2-hydroxy-3,6-dimethylpyran-4-one,hdmpo,2-hydroxy-3,6-dimethyl-4h-pyran-4-one,acmc-20amh7,methyl triacetic lactone,4-hydroxy-3,6-dimethyl-2-pyrone
IUPAC Name	4-hydroxy-3,6-dimethylpyran-2-one
InChI Key	VVBIGJOVPZMWGU-UHFFFAOYSA-N
Molecular Formula	C7H8O3

Methyl 2-aminothiophene-3-carboxylate, 97%

CAS: 4651-81-4 Molecular Formula: C6H7NO2S Molecular Weight (g/mol): 157.19 MDL Number: MFCD00159547 InChI Key: DGGJQLCAYQCPDD-UHFFFAOYSA-N Synonym: methyl 2-amino-3-thenoate,methyl 2-amino-3-thiophenecarboxylate,2-amino-3-methoxycarbonylthiophene,methyl2-aminothiophene-3-carboxylate,2-amino-thiophene-3-carboxylic acid methyl ester,3-thiophenecarboxylic acid, 2-amino-, methyl ester,zlchem 402,pubchem5551,maybridge1_003714,2-amino-thiophene-3-carboxylicacidmethylester PubChem CID: 78381 IUPAC Name: methyl 2-aminothiophene-3-carboxylate SMILES: COC(=O)C1=C(N)SC=C1

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PubChem CID	78381
CAS	4651-81-4
Molecular Weight (g/mol)	157.19
MDL Number	MFCD00159547
SMILES	COC(=O)C1=C(N)SC=C1
Synonym	methyl 2-amino-3-thenoate,methyl 2-amino-3-thiophenecarboxylate,2-amino-3-methoxycarbonylthiophene,methyl2-aminothiophene-3-carboxylate,2-amino-thiophene-3-carboxylic acid methyl ester,3-thiophenecarboxylic acid, 2-amino-, methyl ester,zlchem 402,pubchem5551,maybridge1_003714,2-amino-thiophene-3-carboxylicacidmethylester
IUPAC Name	methyl 2-aminothiophene-3-carboxylate
InChI Key	DGGJQLCAYQCPDD-UHFFFAOYSA-N
Molecular Formula	C6H7NO2S

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

Methyl 3-hydroxythiophene-2-carboxylate, 97%

CAS: 5118-06-9 MDL Number: MFCD00055642

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Specifications

CAS	5118-06-9
MDL Number	MFCD00055642

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

4,5,6,7-Tetrahydropyrazolo[1,5-a]pyridine-3-carboxylic acid, 97%

CAS: 307307-97-7 Molecular Formula: C₈H₁₀N₂O₂ Molecular Weight (g/mol): 166.18 MDL Number: MFCD09056813 InChI Key: VOAKNFVZEGNOKV-UHFFFAOYSA-N Synonym: 4,5,6,7-tetrahydropyrazolo 1,5-a pyridine-3-carboxylic acid,4h,5h,6h,7h-pyrazolo 1,5-a pyridine-3-carboxylic acid,pyrazolo 1,5-a pyridine-3-carboxylic acid, 4,5,6,7-tetrahydro,4,5,6,7-tetrahydro-pyrazolo 1,5-a pyridine-3-carboxylic acid,pubchem23924,4,5,6,7-tetrahydropyrazolo 1,5-a pyridine-3-carbox,4?5?6?7-tetrahydropyrazolo 1?5-a pyridine-3-carboxylic acid,pyrazolo 1,5-a pyridine-3-carboxylicacid, 4,5,6,7-tetrahydro PubChem CID: 21941376 IUPAC Name: 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylic acid SMILES: C1CCN2C(=C(C=N2)C(=O)O)C1

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Specifications

PubChem CID	21941376
CAS	307307-97-7
Molecular Weight (g/mol)	166.18
MDL Number	MFCD09056813
SMILES	C1CCN2C(=C(C=N2)C(=O)O)C1
Synonym	4,5,6,7-tetrahydropyrazolo 1,5-a pyridine-3-carboxylic acid,4h,5h,6h,7h-pyrazolo 1,5-a pyridine-3-carboxylic acid,pyrazolo 1,5-a pyridine-3-carboxylic acid, 4,5,6,7-tetrahydro,4,5,6,7-tetrahydro-pyrazolo 1,5-a pyridine-3-carboxylic acid,pubchem23924,4,5,6,7-tetrahydropyrazolo 1,5-a pyridine-3-carbox,4?5?6?7-tetrahydropyrazolo 1?5-a pyridine-3-carboxylic acid,pyrazolo 1,5-a pyridine-3-carboxylicacid, 4,5,6,7-tetrahydro
IUPAC Name	4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylic acid
InChI Key	VOAKNFVZEGNOKV-UHFFFAOYSA-N
Molecular Formula	C₈H₁₀N₂O₂

2,2,6-Trimethyl-1,3-dioxin-4-one, cont. up to ca 6% acetone

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

Pricing and Availability
Specifications

PubChem CID	79368
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 3-trifluoromethyl-1H-pyrazole-4-carboxylate, 97%

CAS: 155377-19-8 Molecular Formula: C7H7F3N2O2 Molecular Weight (g/mol): 208.14 MDL Number: MFCD00052083 InChI Key: VYXIHSAEOXPAEY-UHFFFAOYSA-N Synonym: ethyl 3-trifluoromethyl pyrazole-4-carboxylate,ethyl 3-trifluoromethyl-1h-pyrazole-4-carboxylate,ethyl 5-trifluoromethyl-1h-pyrazole-4-carboxylate,3-trifluoromethyl-1h-pyrazole-4-carboxylic acid ethyl ester,3-trifluoromethyl pyrazole-4-carboxylic acid ethyl ester,ethyl 3-trifluoromethyl-2h-pyrazole-4-carboxylate,5-trifluoromethyl-1h-pyrazole-4-carboxylic acid ethyl ester,1h-pyrazole-4-carboxylic acid, 3-trifluoromethyl-, ethyl ester PubChem CID: 596095 IUPAC Name: ethyl 5-(trifluoromethyl)-1H-pyrazole-4-carboxylate SMILES: CCOC(=O)C1=C(NN=C1)C(F)(F)F

Pricing and Availability
Specifications

PubChem CID	596095
CAS	155377-19-8
Molecular Weight (g/mol)	208.14
MDL Number	MFCD00052083
SMILES	CCOC(=O)C1=C(NN=C1)C(F)(F)F
Synonym	ethyl 3-trifluoromethyl pyrazole-4-carboxylate,ethyl 3-trifluoromethyl-1h-pyrazole-4-carboxylate,ethyl 5-trifluoromethyl-1h-pyrazole-4-carboxylate,3-trifluoromethyl-1h-pyrazole-4-carboxylic acid ethyl ester,3-trifluoromethyl pyrazole-4-carboxylic acid ethyl ester,ethyl 3-trifluoromethyl-2h-pyrazole-4-carboxylate,5-trifluoromethyl-1h-pyrazole-4-carboxylic acid ethyl ester,1h-pyrazole-4-carboxylic acid, 3-trifluoromethyl-, ethyl ester
IUPAC Name	ethyl 5-(trifluoromethyl)-1H-pyrazole-4-carboxylate
InChI Key	VYXIHSAEOXPAEY-UHFFFAOYSA-N
Molecular Formula	C7H7F3N2O2

Vinylogous acids

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