Monocarboxylic acids and derivatives

Organic compounds that contain one carboxyl group; carboxyl groups consist of a carbonyl group bonded to a hydroxy group. Includes compounds that are derived from monocarboxylic acids.

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Propionic Acid (Certified ACS), Fisher Chemical

CAS: 79-09-4 Molecular Formula: C3H6O2 Molecular Weight (g/mol): 74.079 MDL Number: MFCD00002756 InChI Key: XBDQKXXYIPTUBI-UHFFFAOYSA-N Synonym: propionic acid,ethylformic acid,methylacetic acid,carboxyethane,ethanecarboxylic acid,pseudoacetic acid,metacetonic acid,monoprop,luprosil,prozoin PubChem CID: 1032 ChEBI: CHEBI:30768 IUPAC Name: propanoic acid SMILES: CCC(=O)O

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PubChem CID	1032
CAS	79-09-4
Molecular Weight (g/mol)	74.079
ChEBI	CHEBI:30768
MDL Number	MFCD00002756
SMILES	CCC(=O)O
Synonym	propionic acid,ethylformic acid,methylacetic acid,carboxyethane,ethanecarboxylic acid,pseudoacetic acid,metacetonic acid,monoprop,luprosil,prozoin
IUPAC Name	propanoic acid
InChI Key	XBDQKXXYIPTUBI-UHFFFAOYSA-N
Molecular Formula	C3H6O2

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Quinoxaline-5-carboxylic acid, 95%, Thermo Scientific Chemicals

CAS: 6924-66-9 Molecular Formula: C₉H₆N₂O₂ Molecular Weight (g/mol): 174.16 MDL Number: MFCD02854494 InChI Key: QLZNISOPACYKOR-UHFFFAOYSA-N Synonym: 5-quinoxalinecarboxylic acid,5-carboxyquinoxaline,5-quinoxalinecarboxylicacid PubChem CID: 776833 IUPAC Name: quinoxaline-5-carboxylic acid SMILES: C1=CC(=C2C(=C1)N=CC=N2)C(=O)O

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PubChem CID	776833
CAS	6924-66-9
Molecular Weight (g/mol)	174.16
MDL Number	MFCD02854494
SMILES	C1=CC(=C2C(=C1)N=CC=N2)C(=O)O
Synonym	5-quinoxalinecarboxylic acid,5-carboxyquinoxaline,5-quinoxalinecarboxylicacid
IUPAC Name	quinoxaline-5-carboxylic acid
InChI Key	QLZNISOPACYKOR-UHFFFAOYSA-N
Molecular Formula	C₉H₆N₂O₂

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n-Butyl Acetate (Reagent), Fisher Chemical™

CAS: 123-86-4 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 MDL Number: MFCD00009445 InChI Key: DKPFZGUDAPQIHT-UHFFFAOYSA-N Synonym: n-butyl acetate,acetic acid, butyl ester,1-butyl acetate,butyl ethanoate,acetic acid butyl ester,n-butyl ethanoate,n-butylacetate,butylacetat,acetic acid n-butyl ester,acetate de butyle PubChem CID: 31272 ChEBI: CHEBI:31328 IUPAC Name: butyl acetate SMILES: CCCCOC(C)=O

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PubChem CID	31272
CAS	123-86-4
Molecular Weight (g/mol)	116.16
ChEBI	CHEBI:31328
MDL Number	MFCD00009445
SMILES	CCCCOC(C)=O
Synonym	n-butyl acetate,acetic acid, butyl ester,1-butyl acetate,butyl ethanoate,acetic acid butyl ester,n-butyl ethanoate,n-butylacetate,butylacetat,acetic acid n-butyl ester,acetate de butyle
IUPAC Name	butyl acetate
InChI Key	DKPFZGUDAPQIHT-UHFFFAOYSA-N
Molecular Formula	C6H12O2

Trifluoroacetic anhydride, 99+%

CAS: 407-25-0 Molecular Formula: C4F6O3 Molecular Weight (g/mol): 210.03 MDL Number: MFCD00000416 InChI Key: QAEDZJGFFMLHHQ-UHFFFAOYSA-N Synonym: trifluoroacetic anhydride,trifluoroacetic acid anhydride,2,2,2-trifluoroacetic anhydride,bis trifluoroacetic anhydride,acetic acid, trifluoro-, anhydride,perfluoroacetic anhydride,trifluoroacetyl anhydride,tfaa,hexafluoroacetic anhydride,anhydrid kyseliny trifluoroctove PubChem CID: 9845 IUPAC Name: (2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate SMILES: FC(F)(F)C(=O)OC(=O)C(F)(F)F

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PubChem CID	9845
CAS	407-25-0
Molecular Weight (g/mol)	210.03
MDL Number	MFCD00000416
SMILES	FC(F)(F)C(=O)OC(=O)C(F)(F)F
Synonym	trifluoroacetic anhydride,trifluoroacetic acid anhydride,2,2,2-trifluoroacetic anhydride,bis trifluoroacetic anhydride,acetic acid, trifluoro-, anhydride,perfluoroacetic anhydride,trifluoroacetyl anhydride,tfaa,hexafluoroacetic anhydride,anhydrid kyseliny trifluoroctove
IUPAC Name	(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate
InChI Key	QAEDZJGFFMLHHQ-UHFFFAOYSA-N
Molecular Formula	C4F6O3

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Ethyl butyrate, 99%

CAS: 105-54-4 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 MDL Number: MFCD00009394 InChI Key: OBNCKNCVKJNDBV-UHFFFAOYSA-N Synonym: ethyl butyrate,butyric acid ethyl ester,ethyl n-butyrate,butanoic acid, ethyl ester,butyric ester,butyric ether,butyric acid, ethyl ester,ethyl n-butanoate,butanoic acid ethyl ester,fema number 2427 PubChem CID: 7762 IUPAC Name: ethyl butanoate SMILES: CCCC(=O)OCC

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PubChem CID	7762
CAS	105-54-4
Molecular Weight (g/mol)	116.16
MDL Number	MFCD00009394
SMILES	CCCC(=O)OCC
Synonym	ethyl butyrate,butyric acid ethyl ester,ethyl n-butyrate,butanoic acid, ethyl ester,butyric ester,butyric ether,butyric acid, ethyl ester,ethyl n-butanoate,butanoic acid ethyl ester,fema number 2427
IUPAC Name	ethyl butanoate
InChI Key	OBNCKNCVKJNDBV-UHFFFAOYSA-N
Molecular Formula	C6H12O2

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Isobutyl isobutyrate, 98%

CAS: 97-85-8 Molecular Formula: C8H16O2 Molecular Weight (g/mol): 144.21 MDL Number: MFCD00008916 InChI Key: RXGUIWHIADMCFC-UHFFFAOYSA-N Synonym: isobutyl isobutyrate,isobutyl 2-methylpropanoate,isobutyl isobutanoate,isobutyric acid, isobutyl ester,propanoic acid, 2-methyl-, 2-methylpropyl ester,2-methylpropyl 2-methylpropionate,2-methylpropyl isobutyrate,isobutylester kyseliny isomaselne,fema number 2189,2-methyl-1-propyl 2-methylpropanoate PubChem CID: 7351 IUPAC Name: 2-methylpropyl 2-methylpropanoate SMILES: CC(C)COC(=O)C(C)C

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PubChem CID	7351
CAS	97-85-8
Molecular Weight (g/mol)	144.21
MDL Number	MFCD00008916
SMILES	CC(C)COC(=O)C(C)C
Synonym	isobutyl isobutyrate,isobutyl 2-methylpropanoate,isobutyl isobutanoate,isobutyric acid, isobutyl ester,propanoic acid, 2-methyl-, 2-methylpropyl ester,2-methylpropyl 2-methylpropionate,2-methylpropyl isobutyrate,isobutylester kyseliny isomaselne,fema number 2189,2-methyl-1-propyl 2-methylpropanoate
IUPAC Name	2-methylpropyl 2-methylpropanoate
InChI Key	RXGUIWHIADMCFC-UHFFFAOYSA-N
Molecular Formula	C8H16O2

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tert-Butyl acetate, 99%

CAS: 540-88-5 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 MDL Number: MFCD00008807 InChI Key: WMOVHXAZOJBABW-UHFFFAOYSA-N Synonym: t-butyl acetate,acetic acid tert-butyl ester,tert-butyl ethanoate,acetic acid, 1,1-dimethylethyl ester,texaco lead appreciator,acetic acid, tert-butyl ester,tert-butylacetate,tert butyl acetate,1,1-dimethylethyl acetate,1,1-dimethyl acetate PubChem CID: 10908 IUPAC Name: tert-butyl acetate SMILES: CC(=O)OC(C)(C)C

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PubChem CID	10908
CAS	540-88-5
Molecular Weight (g/mol)	116.16
MDL Number	MFCD00008807
SMILES	CC(=O)OC(C)(C)C
Synonym	t-butyl acetate,acetic acid tert-butyl ester,tert-butyl ethanoate,acetic acid, 1,1-dimethylethyl ester,texaco lead appreciator,acetic acid, tert-butyl ester,tert-butylacetate,tert butyl acetate,1,1-dimethylethyl acetate,1,1-dimethyl acetate
IUPAC Name	tert-butyl acetate
InChI Key	WMOVHXAZOJBABW-UHFFFAOYSA-N
Molecular Formula	C6H12O2

(-)-Epigallocatechin gallate, Thermo Scientific Chemicals

CAS: 989-51-5 Molecular Formula: C22H18O11 Molecular Weight (g/mol): 458.375 MDL Number: MFCD00075940 InChI Key: WMBWREPUVVBILR-WIYYLYMNSA-N Synonym: =--epigallocatechin gallate,egcg,epigallocatechin gallate,epigallocatechin 3-gallate,tea catechin,epigallocatechin-3-gallate,=--epigallocatechin-3-o-gallate,teavigo,=--epigallocatechol gallate,epigallocatechin-3-monogallate PubChem CID: 65064 ChEBI: CHEBI:4806 IUPAC Name: [(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate SMILES: C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O

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PubChem CID	65064
CAS	989-51-5
Molecular Weight (g/mol)	458.375
ChEBI	CHEBI:4806
MDL Number	MFCD00075940
SMILES	C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O
Synonym	=--epigallocatechin gallate,egcg,epigallocatechin gallate,epigallocatechin 3-gallate,tea catechin,epigallocatechin-3-gallate,=--epigallocatechin-3-o-gallate,teavigo,=--epigallocatechol gallate,epigallocatechin-3-monogallate
IUPAC Name	[(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
InChI Key	WMBWREPUVVBILR-WIYYLYMNSA-N
Molecular Formula	C22H18O11

Ammonium acetate, 97%

CAS: 631-61-8 Molecular Formula: C2H7NO2 Molecular Weight (g/mol): 77.083 MDL Number: MFCD00013066 InChI Key: USFZMSVCRYTOJT-UHFFFAOYSA-N Synonym: ammonium acetate,acetic acid, ammonium salt,azanium acetate,ammoniumacetate,acetic acid ammonium salt,ammonium ethanoate,unii-rre756s6q2,aconh4,ch3coonh4,ch3co2nh4 PubChem CID: 517165 ChEBI: CHEBI:62947 IUPAC Name: azanium;acetate SMILES: CC(=O)[O-].[NH4+]

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PubChem CID	517165
CAS	631-61-8
Molecular Weight (g/mol)	77.083
ChEBI	CHEBI:62947
MDL Number	MFCD00013066
SMILES	CC(=O)[O-].[NH4+]
Synonym	ammonium acetate,acetic acid, ammonium salt,azanium acetate,ammoniumacetate,acetic acid ammonium salt,ammonium ethanoate,unii-rre756s6q2,aconh4,ch3coonh4,ch3co2nh4
IUPAC Name	azanium;acetate
InChI Key	USFZMSVCRYTOJT-UHFFFAOYSA-N
Molecular Formula	C2H7NO2

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Cobalt(II) acetate tetrahydrate, 98%

CAS: 6147-53-1 Molecular Formula: C4H14CoO8 MDL Number: MFCD00149569 InChI Key: ZBYYWKJVSFHYJL-UHFFFAOYSA-L Synonym: cobalt ii acetate tetrahydrate,cobalt acetate tetrahydrate,cobaltous acetate tetrahydrate,cobalt diacetate tetrahydrate,bis acetato tetraquacobalt,octan kobaltnaty czech,acetic acid, cobalt 2+ salt, tetrahydrate,octan kobaltnaty,ccris 9441 PubChem CID: 61372

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PubChem CID	61372
CAS	6147-53-1
MDL Number	MFCD00149569
Synonym	cobalt ii acetate tetrahydrate,cobalt acetate tetrahydrate,cobaltous acetate tetrahydrate,cobalt diacetate tetrahydrate,bis acetato tetraquacobalt,octan kobaltnaty czech,acetic acid, cobalt 2+ salt, tetrahydrate,octan kobaltnaty,ccris 9441
InChI Key	ZBYYWKJVSFHYJL-UHFFFAOYSA-L
Molecular Formula	C4H14CoO8

PubChem CID	31272
CAS	123-86-4
Molecular Weight (g/mol)	116.16
ChEBI	CHEBI:31328
MDL Number	MFCD00009445
SMILES	CCCCOC(C)=O
Synonym	n-butyl acetate,acetic acid, butyl ester,1-butyl acetate,butyl ethanoate,acetic acid butyl ester,n-butyl ethanoate,n-butylacetate,butylacetat,acetic acid n-butyl ester,acetate de butyle
IUPAC Name	butyl acetate
InChI Key	DKPFZGUDAPQIHT-UHFFFAOYSA-N
Molecular Formula	C6H12O2

Zinc acetate, anhydrous, 99.9+%

CAS: 557-34-6 Molecular Formula: C4H6O4Zn Molecular Weight (g/mol): 183.468 MDL Number: MFCD00012454 InChI Key: DJWUNCQRNNEAKC-UHFFFAOYSA-L Synonym: zinc acetate,zinc diacetate,zinc ii acetate,acetic acid, zinc salt,dicarbomethoxyzinc,acetic acid, zinc ii salt,zinc di acetate,galzin,zinc acetate anhydrous,siltex cl 4 PubChem CID: 11192 ChEBI: CHEBI:62984 IUPAC Name: zinc;diacetate SMILES: CC(=O)[O-].CC(=O)[O-].[Zn+2]

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PubChem CID	11192
CAS	557-34-6
Molecular Weight (g/mol)	183.468
ChEBI	CHEBI:62984
MDL Number	MFCD00012454
SMILES	CC(=O)[O-].CC(=O)[O-].[Zn+2]
Synonym	zinc acetate,zinc diacetate,zinc ii acetate,acetic acid, zinc salt,dicarbomethoxyzinc,acetic acid, zinc ii salt,zinc di acetate,galzin,zinc acetate anhydrous,siltex cl 4
IUPAC Name	zinc;diacetate
InChI Key	DJWUNCQRNNEAKC-UHFFFAOYSA-L
Molecular Formula	C4H6O4Zn

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Isobutyl acetate, 98%

CAS: 110-19-0 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 MDL Number: MFCD00008932 InChI Key: GJRQTCIYDGXPES-UHFFFAOYSA-N Synonym: isobutyl acetate,isobutyl ethanoate,acetic acid, 2-methylpropyl ester,2-methyl-1-propyl acetate,2-methylpropyl ethanoate,acetic acid, isobutyl ester,acetic acid isobutyl ester,acetate d'isobutyle,iso-butyl acetate,beta-methylpropyl ethanoate PubChem CID: 8038 ChEBI: CHEBI:50569 IUPAC Name: 2-methylpropyl acetate SMILES: CC(C)COC(C)=O

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PubChem CID	8038
CAS	110-19-0
Molecular Weight (g/mol)	116.16
ChEBI	CHEBI:50569
MDL Number	MFCD00008932
SMILES	CC(C)COC(C)=O
Synonym	isobutyl acetate,isobutyl ethanoate,acetic acid, 2-methylpropyl ester,2-methyl-1-propyl acetate,2-methylpropyl ethanoate,acetic acid, isobutyl ester,acetic acid isobutyl ester,acetate d'isobutyle,iso-butyl acetate,beta-methylpropyl ethanoate
IUPAC Name	2-methylpropyl acetate
InChI Key	GJRQTCIYDGXPES-UHFFFAOYSA-N
Molecular Formula	C6H12O2

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Nickel(II) acetate tetrahydrate, 98+%

CAS: 6018-89-9 Molecular Formula: C4H14NiO8 Molecular Weight (g/mol): 248.84 MDL Number: MFCD00066973 InChI Key: OINIXPNQKAZCRL-UHFFFAOYSA-L Synonym: nickel ii acetate tetrahydrate,nickel acetate tetrahydrate,nickel diacetate tetrahydrate,diacetatonickel tetrahydrate,nickelous acetate tetrahydrate,unii-6soa8l0560,acetic acid, nickel +2 salt, tetrahydrate,nickel 2+ diacetate tetrahydrate,nickel acetate tetrahydrate nickel and nickel compounds,acetic acid, nickel 2+ salt, tetrahydrate PubChem CID: 62601 IUPAC Name: nickel(2+);diacetate;tetrahydrate SMILES: O.O.O.O.[Ni++].CC([O-])=O.CC([O-])=O

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PubChem CID	62601
CAS	6018-89-9
Molecular Weight (g/mol)	248.84
MDL Number	MFCD00066973
SMILES	O.O.O.O.[Ni++].CC([O-])=O.CC([O-])=O
Synonym	nickel ii acetate tetrahydrate,nickel acetate tetrahydrate,nickel diacetate tetrahydrate,diacetatonickel tetrahydrate,nickelous acetate tetrahydrate,unii-6soa8l0560,acetic acid, nickel +2 salt, tetrahydrate,nickel 2+ diacetate tetrahydrate,nickel acetate tetrahydrate nickel and nickel compounds,acetic acid, nickel 2+ salt, tetrahydrate
IUPAC Name	nickel(2+);diacetate;tetrahydrate
InChI Key	OINIXPNQKAZCRL-UHFFFAOYSA-L
Molecular Formula	C4H14NiO8

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Ethyl 2-methylbutyrate, 99%

CAS: 7452-79-1 Molecular Formula: C₇H₁₄O₂ Molecular Weight (g/mol): 130.19 MDL Number: MFCD00012217 InChI Key: HCRBXQFHJMCTLF-UHFFFAOYSA-N Synonym: ethyl 2-methylbutyrate,butanoic acid, 2-methyl-, ethyl ester,butyric acid, 2-methyl-, ethyl ester,ethyl 2-methyl butyrate,ethyl alpha-methylbutyrate,dl-2-methylbutyric acid ethyl ester,ethyl 2-methyl-butanoate,ethyl .alpha.-methylbutyrate,2-methylbutanoic acid ethyl ester,butyric acid, 2-methyl-, ethyl ester 8ci PubChem CID: 24020 IUPAC Name: ethyl 2-methylbutanoate SMILES: CCC(C)C(=O)OCC

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PubChem CID	24020
CAS	7452-79-1
Molecular Weight (g/mol)	130.19
MDL Number	MFCD00012217
SMILES	CCC(C)C(=O)OCC
Synonym	ethyl 2-methylbutyrate,butanoic acid, 2-methyl-, ethyl ester,butyric acid, 2-methyl-, ethyl ester,ethyl 2-methyl butyrate,ethyl alpha-methylbutyrate,dl-2-methylbutyric acid ethyl ester,ethyl 2-methyl-butanoate,ethyl .alpha.-methylbutyrate,2-methylbutanoic acid ethyl ester,butyric acid, 2-methyl-, ethyl ester 8ci
IUPAC Name	ethyl 2-methylbutanoate
InChI Key	HCRBXQFHJMCTLF-UHFFFAOYSA-N
Molecular Formula	C₇H₁₄O₂

Monocarboxylic acids and derivatives

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