
Carboxylic acids and derivatives















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n-Butyl acetate, ACS reagent
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
PubChem CID | 31272 |
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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 |
Manganese(II) acetate, anhydrous, 98+%
CAS: 638-38-0 Molecular Formula: C4H6MnO4 Molecular Weight (g/mol): 173.03 MDL Number: MFCD00013039 InChI Key: UOGMEBQRZBEZQT-UHFFFAOYSA-L Synonym: manganese ii acetate,manganese acetate,manganous acetate,diacetylmanganese,manganese diacetate,manganese di acetate,manganese 2+ acetate,octan manganaty czech,acetic acid, manganese 2+ salt,unii-0v6e9q2i0y PubChem CID: 12525 IUPAC Name: manganese(2+);diacetate SMILES: [Mn++].CC([O-])=O.CC([O-])=O
PubChem CID | 12525 |
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CAS | 638-38-0 |
Molecular Weight (g/mol) | 173.03 |
MDL Number | MFCD00013039 |
SMILES | [Mn++].CC([O-])=O.CC([O-])=O |
Synonym | manganese ii acetate,manganese acetate,manganous acetate,diacetylmanganese,manganese diacetate,manganese di acetate,manganese 2+ acetate,octan manganaty czech,acetic acid, manganese 2+ salt,unii-0v6e9q2i0y |
IUPAC Name | manganese(2+);diacetate |
InChI Key | UOGMEBQRZBEZQT-UHFFFAOYSA-L |
Molecular Formula | C4H6MnO4 |
Vinyl acetate, 99%, stab. with 8-12ppm hydroquinone
CAS: 108-05-4 Molecular Formula: C4H6O2 Molecular Weight (g/mol): 86.09 MDL Number: MFCD00008713 InChI Key: XTXRWKRVRITETP-UHFFFAOYSA-N Synonym: vinyl acetate,acetic acid ethenyl ester,acetic acid vinyl ester,ethenyl ethanoate,1-acetoxyethylene,vinyl ethanoate,acetoxyethene,vinylacetat,vinyl acetate monomer,vinyl a monomer PubChem CID: 7904 ChEBI: CHEBI:46916 IUPAC Name: ethenyl acetate SMILES: CC(=O)OC=C
PubChem CID | 7904 |
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CAS | 108-05-4 |
Molecular Weight (g/mol) | 86.09 |
ChEBI | CHEBI:46916 |
MDL Number | MFCD00008713 |
SMILES | CC(=O)OC=C |
Synonym | vinyl acetate,acetic acid ethenyl ester,acetic acid vinyl ester,ethenyl ethanoate,1-acetoxyethylene,vinyl ethanoate,acetoxyethene,vinylacetat,vinyl acetate monomer,vinyl a monomer |
IUPAC Name | ethenyl acetate |
InChI Key | XTXRWKRVRITETP-UHFFFAOYSA-N |
Molecular Formula | C4H6O2 |
Cyanoacetic acid, 97%
CAS: 372-09-8 Molecular Formula: C3H3NO2 Molecular Weight (g/mol): 85.062 MDL Number: MFCD00002677 InChI Key: MLIREBYILWEBDM-UHFFFAOYSA-N Synonym: cyanoacetic acid,acetic acid, cyano,malonic mononitrile,acide cyanacetique,cyanessigsaeure,monocyanoacetic acid,malonic acid mononitrile,usaf kf-17,cyanoethanoic acid,kyselina kyanoctova PubChem CID: 9740 ChEBI: CHEBI:51889 IUPAC Name: 2-cyanoacetic acid SMILES: C(C#N)C(=O)O
PubChem CID | 9740 |
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CAS | 372-09-8 |
Molecular Weight (g/mol) | 85.062 |
ChEBI | CHEBI:51889 |
MDL Number | MFCD00002677 |
SMILES | C(C#N)C(=O)O |
Synonym | cyanoacetic acid,acetic acid, cyano,malonic mononitrile,acide cyanacetique,cyanessigsaeure,monocyanoacetic acid,malonic acid mononitrile,usaf kf-17,cyanoethanoic acid,kyselina kyanoctova |
IUPAC Name | 2-cyanoacetic acid |
InChI Key | MLIREBYILWEBDM-UHFFFAOYSA-N |
Molecular Formula | C3H3NO2 |
Benzyl acetate, 99%
CAS: 140-11-4 Molecular Formula: C9H10O2 Molecular Weight (g/mol): 150.177 MDL Number: MFCD00008712 InChI Key: QUKGYYKBILRGFE-UHFFFAOYSA-N Synonym: acetic acid benzyl ester,benzyl ethanoate,acetic acid, phenylmethyl ester,phenylmethyl acetate,acetic acid, benzyl ester,alpha-acetoxytoluene,phenylmethyl ethanoate,acetoxymethyl benzene,benzylester kyseliny octove,caswell no. 081ea PubChem CID: 8785 ChEBI: CHEBI:52051 IUPAC Name: benzyl acetate SMILES: CC(=O)OCC1=CC=CC=C1
PubChem CID | 8785 |
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CAS | 140-11-4 |
Molecular Weight (g/mol) | 150.177 |
ChEBI | CHEBI:52051 |
MDL Number | MFCD00008712 |
SMILES | CC(=O)OCC1=CC=CC=C1 |
Synonym | acetic acid benzyl ester,benzyl ethanoate,acetic acid, phenylmethyl ester,phenylmethyl acetate,acetic acid, benzyl ester,alpha-acetoxytoluene,phenylmethyl ethanoate,acetoxymethyl benzene,benzylester kyseliny octove,caswell no. 081ea |
IUPAC Name | benzyl acetate |
InChI Key | QUKGYYKBILRGFE-UHFFFAOYSA-N |
Molecular Formula | C9H10O2 |
Methyl benzoate, 99%
CAS: 93-58-3 Molecular Formula: C8H8O2 Molecular Weight (g/mol): 136.15 MDL Number: MFCD00008421 InChI Key: QPJVMBTYPHYUOC-UHFFFAOYSA-N Synonym: methylbenzoate,benzoic acid, methyl ester,clorius,benzoic acid methyl ester,niobe oil,oil of niobe,methyl benzenecarboxylate,essence of niobe,oniobe oil,oxidate le PubChem CID: 7150 ChEBI: CHEBI:72775 IUPAC Name: methyl benzoate SMILES: COC(=O)C1=CC=CC=C1
PubChem CID | 7150 |
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CAS | 93-58-3 |
Molecular Weight (g/mol) | 136.15 |
ChEBI | CHEBI:72775 |
MDL Number | MFCD00008421 |
SMILES | COC(=O)C1=CC=CC=C1 |
Synonym | methylbenzoate,benzoic acid, methyl ester,clorius,benzoic acid methyl ester,niobe oil,oil of niobe,methyl benzenecarboxylate,essence of niobe,oniobe oil,oxidate le |
IUPAC Name | methyl benzoate |
InChI Key | QPJVMBTYPHYUOC-UHFFFAOYSA-N |
Molecular Formula | C8H8O2 |
Citric acid, diammonium salt, 98%, pure
CAS: 3012-65-5 Molecular Formula: C6H14N2O7 Molecular Weight (g/mol): 226.19 MDL Number: MFCD00013068 InChI Key: YXVFQADLFFNVDS-UHFFFAOYSA-N Synonym: ammonium citrate dibasic,ammonium hydrogencitrate,diammonium hydrogen citrate,citric acid diammonium salt,citric acid ammonium salt,di-ammonium hydrogen citrate,citro diamine,citric acid diamine,ammonium citrate, dibasic, acs,ammonium citrate dibasic, puriss PubChem CID: 13710713 ChEBI: CHEBI:63076 IUPAC Name: azane;2-hydroxypropane-1,2,3-tricarboxylic acid SMILES: [NH4+].[NH4+].OC(=O)C(O)(CC([O-])=O)CC([O-])=O
PubChem CID | 13710713 |
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CAS | 3012-65-5 |
Molecular Weight (g/mol) | 226.19 |
ChEBI | CHEBI:63076 |
MDL Number | MFCD00013068 |
SMILES | [NH4+].[NH4+].OC(=O)C(O)(CC([O-])=O)CC([O-])=O |
Synonym | ammonium citrate dibasic,ammonium hydrogencitrate,diammonium hydrogen citrate,citric acid diammonium salt,citric acid ammonium salt,di-ammonium hydrogen citrate,citro diamine,citric acid diamine,ammonium citrate, dibasic, acs,ammonium citrate dibasic, puriss |
IUPAC Name | azane;2-hydroxypropane-1,2,3-tricarboxylic acid |
InChI Key | YXVFQADLFFNVDS-UHFFFAOYSA-N |
Molecular Formula | C6H14N2O7 |
3-Mercaptopropionic acid, 99%
CAS: 107-96-0 Molecular Formula: C3H6O2S Molecular Weight (g/mol): 106.14 MDL Number: MFCD00004897 InChI Key: DKIDEFUBRARXTE-UHFFFAOYSA-N Synonym: 3-mercaptopropionic acid,3-mercaptopropanoic acid,3-thiopropionic acid,3-thiopropanoic acid,propanoic acid, 3-mercapto,beta-mercaptopropionic acid,3mpa,mercaptopropionic acid,beta-thiopropionic acid,2-mercaptoethanecarboxylic acid PubChem CID: 6514 ChEBI: CHEBI:44111 IUPAC Name: 3-sulfanylpropanoic acid SMILES: C(CS)C(=O)O
PubChem CID | 6514 |
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CAS | 107-96-0 |
Molecular Weight (g/mol) | 106.14 |
ChEBI | CHEBI:44111 |
MDL Number | MFCD00004897 |
SMILES | C(CS)C(=O)O |
Synonym | 3-mercaptopropionic acid,3-mercaptopropanoic acid,3-thiopropionic acid,3-thiopropanoic acid,propanoic acid, 3-mercapto,beta-mercaptopropionic acid,3mpa,mercaptopropionic acid,beta-thiopropionic acid,2-mercaptoethanecarboxylic acid |
IUPAC Name | 3-sulfanylpropanoic acid |
InChI Key | DKIDEFUBRARXTE-UHFFFAOYSA-N |
Molecular Formula | C3H6O2S |
Trimethylacetic acid, 99%
CAS: 75-98-9 Molecular Formula: C5H10O2 Molecular Weight (g/mol): 102.13 MDL Number: MFCD00004194 InChI Key: IUGYQRQAERSCNH-UHFFFAOYSA-N Synonym: pivalic acid,trimethylacetic acid,neopentanoic acid,2,2-dimethylpropionic acid,tert-pentanoic acid,propanoic acid, 2,2-dimethyl,versatic 5,kyselina pivalova,acetic acid, trimethyl,alpha,alpha-dimethylpropionic acid PubChem CID: 6417 ChEBI: CHEBI:45133 IUPAC Name: 2,2-dimethylpropanoic acid SMILES: CC(C)(C)C(=O)O
PubChem CID | 6417 |
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CAS | 75-98-9 |
Molecular Weight (g/mol) | 102.13 |
ChEBI | CHEBI:45133 |
MDL Number | MFCD00004194 |
SMILES | CC(C)(C)C(=O)O |
Synonym | pivalic acid,trimethylacetic acid,neopentanoic acid,2,2-dimethylpropionic acid,tert-pentanoic acid,propanoic acid, 2,2-dimethyl,versatic 5,kyselina pivalova,acetic acid, trimethyl,alpha,alpha-dimethylpropionic acid |
IUPAC Name | 2,2-dimethylpropanoic acid |
InChI Key | IUGYQRQAERSCNH-UHFFFAOYSA-N |
Molecular Formula | C5H10O2 |
Zinc citrate dihydrate, Reagent Grade, Zn 31% min
CAS: 5990-32-9 Molecular Formula: C12H14O16Zn3 Molecular Weight (g/mol): 610.368 MDL Number: MFCD00150587 InChI Key: OXAGUGIXGVHDGD-UHFFFAOYSA-H Synonym: zinc citrate dihydrate,unii-021ibv57il,acmc-20aj8r,citric acid zinc salt dihydrate,1,2,3-propanetricarboxylic acid, 2-hydroxy-, zinc salt 2:3 , dihydrate,trizinc 2+ dicitrate dihydrate,zinc citrate, dihydrate, reagent,trizinc, ion zn2+ dicitrate dihydrate,zinc 2-hydroxypropane-1,2,3-tricarboxylate-water 3/2/2,1,2,3-propanetricarboxylic acid, 2-hydroxy-, zinc salt, hydrate 2:3:2 PubChem CID: 16213234 IUPAC Name: trizinc;2-hydroxypropane-1,2,3-tricarboxylate;dihydrate SMILES: C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.O.O.[Zn+2].[Zn+2].[Zn+2]
PubChem CID | 16213234 |
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CAS | 5990-32-9 |
Molecular Weight (g/mol) | 610.368 |
MDL Number | MFCD00150587 |
SMILES | C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.O.O.[Zn+2].[Zn+2].[Zn+2] |
Synonym | zinc citrate dihydrate,unii-021ibv57il,acmc-20aj8r,citric acid zinc salt dihydrate,1,2,3-propanetricarboxylic acid, 2-hydroxy-, zinc salt 2:3 , dihydrate,trizinc 2+ dicitrate dihydrate,zinc citrate, dihydrate, reagent,trizinc, ion zn2+ dicitrate dihydrate,zinc 2-hydroxypropane-1,2,3-tricarboxylate-water 3/2/2,1,2,3-propanetricarboxylic acid, 2-hydroxy-, zinc salt, hydrate 2:3:2 |
IUPAC Name | trizinc;2-hydroxypropane-1,2,3-tricarboxylate;dihydrate |
InChI Key | OXAGUGIXGVHDGD-UHFFFAOYSA-H |
Molecular Formula | C12H14O16Zn3 |
Levulinic acid, 98%
CAS: 123-76-2 Molecular Formula: C5H8O3 Molecular Weight (g/mol): 116.116 MDL Number: MFCD00002796 InChI Key: JOOXCMJARBKPKM-UHFFFAOYSA-N Synonym: levulinic acid,laevulinic acid,pentanoic acid, 4-oxo,levulic acid,4-oxovaleric acid,3-acetylpropionic acid,4-ketovaleric acid,leva,gamma-ketovaleric acid,acetopropionic acid PubChem CID: 11579 ChEBI: CHEBI:45630 IUPAC Name: 4-oxopentanoic acid SMILES: CC(=O)CCC(=O)O
PubChem CID | 11579 |
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CAS | 123-76-2 |
Molecular Weight (g/mol) | 116.116 |
ChEBI | CHEBI:45630 |
MDL Number | MFCD00002796 |
SMILES | CC(=O)CCC(=O)O |
Synonym | levulinic acid,laevulinic acid,pentanoic acid, 4-oxo,levulic acid,4-oxovaleric acid,3-acetylpropionic acid,4-ketovaleric acid,leva,gamma-ketovaleric acid,acetopropionic acid |
IUPAC Name | 4-oxopentanoic acid |
InChI Key | JOOXCMJARBKPKM-UHFFFAOYSA-N |
Molecular Formula | C5H8O3 |
N-(Hydroxymethyl)phthalimide, 97%
CAS: 118-29-6 Molecular Formula: C9H7NO3 Molecular Weight (g/mol): 177.159 MDL Number: MFCD00005899 InChI Key: MNSGOOCAMMSKGI-UHFFFAOYSA-N Synonym: n-hydroxymethyl phthalimide,n-hydroxymethylphthalimide,2-hydroxymethyl isoindoline-1,3-dione,phthalimidomethanol,phthalimidomethyl alcohol,n-methylolphthalimide,oxymethyl phthalimide,1h-isoindole-1,3 2h-dione, 2-hydroxymethyl,hydroxymethylphthalimide,methanol, phthalimido PubChem CID: 8354 ChEBI: CHEBI:38816 IUPAC Name: 2-(hydroxymethyl)isoindole-1,3-dione SMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)CO
PubChem CID | 8354 |
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CAS | 118-29-6 |
Molecular Weight (g/mol) | 177.159 |
ChEBI | CHEBI:38816 |
MDL Number | MFCD00005899 |
SMILES | C1=CC=C2C(=C1)C(=O)N(C2=O)CO |
Synonym | n-hydroxymethyl phthalimide,n-hydroxymethylphthalimide,2-hydroxymethyl isoindoline-1,3-dione,phthalimidomethanol,phthalimidomethyl alcohol,n-methylolphthalimide,oxymethyl phthalimide,1h-isoindole-1,3 2h-dione, 2-hydroxymethyl,hydroxymethylphthalimide,methanol, phthalimido |
IUPAC Name | 2-(hydroxymethyl)isoindole-1,3-dione |
InChI Key | MNSGOOCAMMSKGI-UHFFFAOYSA-N |
Molecular Formula | C9H7NO3 |
Oxamic acid, 98%
CAS: 471-47-6 Molecular Formula: C2H3NO3 Molecular Weight (g/mol): 89.05 MDL Number: MFCD00008006 InChI Key: SOWBFZRMHSNYGE-UHFFFAOYSA-N Synonym: 2-amino-2-oxoacetic acid,oxamate,acetic acid, aminooxo,oxalamic acid,oxamidic acid,glycine, 2-oxo,oxalic acid monoamide,amino oxo acetic acid,aminooxoacetic acid,oxamate repellent PubChem CID: 974 ChEBI: CHEBI:18058 IUPAC Name: oxamic acid SMILES: C(=O)(C(=O)O)N
PubChem CID | 974 |
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CAS | 471-47-6 |
Molecular Weight (g/mol) | 89.05 |
ChEBI | CHEBI:18058 |
MDL Number | MFCD00008006 |
SMILES | C(=O)(C(=O)O)N |
Synonym | 2-amino-2-oxoacetic acid,oxamate,acetic acid, aminooxo,oxalamic acid,oxamidic acid,glycine, 2-oxo,oxalic acid monoamide,amino oxo acetic acid,aminooxoacetic acid,oxamate repellent |
IUPAC Name | oxamic acid |
InChI Key | SOWBFZRMHSNYGE-UHFFFAOYSA-N |
Molecular Formula | C2H3NO3 |
Ethyl cyanoacetate, 98+%
CAS: 105-56-6 Molecular Formula: C5H7NO2 Molecular Weight (g/mol): 113.12 MDL Number: MFCD00001940 InChI Key: ZIUSEGSNTOUIPT-UHFFFAOYSA-N Synonym: ethyl cyanoacetate,ethyl cyanacetate,cyanoacetic acid ethyl ester,acetic acid, cyano-, ethyl ester,ethyl cyanoethanoate,cyanoacetic ester,cyanacetate ethyle,usaf kf-25,estere cianoacetico,ethyl cyano acetate PubChem CID: 7764 IUPAC Name: ethyl 2-cyanoacetate SMILES: CCOC(=O)CC#N
PubChem CID | 7764 |
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CAS | 105-56-6 |
Molecular Weight (g/mol) | 113.12 |
MDL Number | MFCD00001940 |
SMILES | CCOC(=O)CC#N |
Synonym | ethyl cyanoacetate,ethyl cyanacetate,cyanoacetic acid ethyl ester,acetic acid, cyano-, ethyl ester,ethyl cyanoethanoate,cyanoacetic ester,cyanacetate ethyle,usaf kf-25,estere cianoacetico,ethyl cyano acetate |
IUPAC Name | ethyl 2-cyanoacetate |
InChI Key | ZIUSEGSNTOUIPT-UHFFFAOYSA-N |
Molecular Formula | C5H7NO2 |
Butyl stearate, tech.
CAS: 123-95-5 Molecular Formula: C22H44O2 Molecular Weight (g/mol): 340.59 MDL Number: MFCD00026669 InChI Key: ULBTUVJTXULMLP-UHFFFAOYSA-N Synonym: butyl stearate,n-butyl stearate,octadecanoic acid, butyl ester,kesscoflex bs,n-butyl octadecanoate,stearic acid, butyl ester,butyl octadecylate,kessco bsc,stearic acid n-butyl ester,polycizer 332 PubChem CID: 31278 ChEBI: CHEBI:85983 IUPAC Name: butyl octadecanoate SMILES: CCCCCCCCCCCCCCCCCC(=O)OCCCC
PubChem CID | 31278 |
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CAS | 123-95-5 |
Molecular Weight (g/mol) | 340.59 |
ChEBI | CHEBI:85983 |
MDL Number | MFCD00026669 |
SMILES | CCCCCCCCCCCCCCCCCC(=O)OCCCC |
Synonym | butyl stearate,n-butyl stearate,octadecanoic acid, butyl ester,kesscoflex bs,n-butyl octadecanoate,stearic acid, butyl ester,butyl octadecylate,kessco bsc,stearic acid n-butyl ester,polycizer 332 |
IUPAC Name | butyl octadecanoate |
InChI Key | ULBTUVJTXULMLP-UHFFFAOYSA-N |
Molecular Formula | C22H44O2 |