Carboxylic acids and derivatives















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2-Ethylhexyl acetate, 99%
CAS: 103-09-3 Molecular Formula: C10H20O2 Molecular Weight (g/mol): 172.27 MDL Number: MFCD00027249 InChI Key: WOYWLLHHWAMFCB-UHFFFAOYNA-N Synonym: acetic acid, 2-ethylhexyl ester,2-ethyl-1-hexanol acetate,2-ethylhexyl ethanoate,2-ethyl-1-hexyl acetate,2-ethylhexanyl acetate,2-ethylhexylacetate,beta-ethylhexyl acetate,acetic acid 2-ethylhexyl ester,fema number 2806,2-ethylhexylester kyseliny octove PubChem CID: 7635 ChEBI: CHEBI:87392 IUPAC Name: 2-ethylhexyl acetate SMILES: CCCCC(CC)COC(C)=O
PubChem CID | 7635 |
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CAS | 103-09-3 |
Molecular Weight (g/mol) | 172.27 |
ChEBI | CHEBI:87392 |
MDL Number | MFCD00027249 |
SMILES | CCCCC(CC)COC(C)=O |
Synonym | acetic acid, 2-ethylhexyl ester,2-ethyl-1-hexanol acetate,2-ethylhexyl ethanoate,2-ethyl-1-hexyl acetate,2-ethylhexanyl acetate,2-ethylhexylacetate,beta-ethylhexyl acetate,acetic acid 2-ethylhexyl ester,fema number 2806,2-ethylhexylester kyseliny octove |
IUPAC Name | 2-ethylhexyl acetate |
InChI Key | WOYWLLHHWAMFCB-UHFFFAOYNA-N |
Molecular Formula | C10H20O2 |
Triethyl 1,3,5-benzenetricarboxylate, 97%
CAS: 4105-92-4 Molecular Formula: C15H18O6 Molecular Weight (g/mol): 294.303 MDL Number: MFCD00236389 InChI Key: KXGOWZRHSOJOLF-UHFFFAOYSA-N Synonym: triethyl trimesate,1,3,5-benzenetricarboxylic acid, triethyl ester,trimesic acid triethyl ester,triethyl 1,3,5-benzenetricarboxylate,ethyl 3,5-bis ethoxycarbonyl benzoate,1,3,5-triethyl benzene-1,3,5-tricarboxylate,acmc-20a6fr,bzta02,1,3,5-tri ethoxycarbonyl benzene,triethyl 1,5-benzenetricarboxylate PubChem CID: 226764 IUPAC Name: triethyl benzene-1,3,5-tricarboxylate SMILES: CCOC(=O)C1=CC(=CC(=C1)C(=O)OCC)C(=O)OCC
PubChem CID | 226764 |
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CAS | 4105-92-4 |
Molecular Weight (g/mol) | 294.303 |
MDL Number | MFCD00236389 |
SMILES | CCOC(=O)C1=CC(=CC(=C1)C(=O)OCC)C(=O)OCC |
Synonym | triethyl trimesate,1,3,5-benzenetricarboxylic acid, triethyl ester,trimesic acid triethyl ester,triethyl 1,3,5-benzenetricarboxylate,ethyl 3,5-bis ethoxycarbonyl benzoate,1,3,5-triethyl benzene-1,3,5-tricarboxylate,acmc-20a6fr,bzta02,1,3,5-tri ethoxycarbonyl benzene,triethyl 1,5-benzenetricarboxylate |
IUPAC Name | triethyl benzene-1,3,5-tricarboxylate |
InChI Key | KXGOWZRHSOJOLF-UHFFFAOYSA-N |
Molecular Formula | C15H18O6 |
2,2,2-Trifluoro-N-methylacetamide, 98%
CAS: 815-06-5 Molecular Formula: C3H4F3NO Molecular Weight (g/mol): 127.066 MDL Number: MFCD00009670 InChI Key: IQNHBUQSOSYAJU-UHFFFAOYSA-N Synonym: n-methyltrifluoroacetamide,n-methyl-2,2,2-trifluoroacetamide,acetamide, 2,2,2-trifluoro-n-methyl,2,2,2-trifluoro-n-methyl-acetamide,n-metnyl-2,2,2-trifluoroacetamide,methyltrifluoroacetamide,acmc-209plm,n-methyl-trifluoroacetamide,n-methyltrifluoro-acetamide PubChem CID: 69948 IUPAC Name: 2,2,2-trifluoro-N-methylacetamide SMILES: CNC(=O)C(F)(F)F
PubChem CID | 69948 |
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CAS | 815-06-5 |
Molecular Weight (g/mol) | 127.066 |
MDL Number | MFCD00009670 |
SMILES | CNC(=O)C(F)(F)F |
Synonym | n-methyltrifluoroacetamide,n-methyl-2,2,2-trifluoroacetamide,acetamide, 2,2,2-trifluoro-n-methyl,2,2,2-trifluoro-n-methyl-acetamide,n-metnyl-2,2,2-trifluoroacetamide,methyltrifluoroacetamide,acmc-209plm,n-methyl-trifluoroacetamide,n-methyltrifluoro-acetamide |
IUPAC Name | 2,2,2-trifluoro-N-methylacetamide |
InChI Key | IQNHBUQSOSYAJU-UHFFFAOYSA-N |
Molecular Formula | C3H4F3NO |
4-Aminoimidazole-5-carboxamide hydrochloride, 98%, Thermo Scientific Chemicals
CAS: 72-40-2 Molecular Formula: C4H7ClN4O Molecular Weight (g/mol): 162.58 MDL Number: MFCD00012704 InChI Key: MXCUYSMIELHIQL-UHFFFAOYSA-N Synonym: 4-amino-5-imidazolecarboxamide hydrochloride,5-amino-4-imidazolecarboxamide hydrochloride,5-amino-1h-imidazole-4-carboxamide hydrochloride,5-aminoimidazole-4-carboxamide hydrochloride,aic .cntdot. hcl,4-amino-1h-imidazole-5-carboxamide hydrochloride,aminoimidazolecarboxamide hydrochloride,4-aminoimidazole-5-carboxamide hydrochloride,1h-imidazole-4-carboxamide, 5-amino-, monohydrochloride,5-aminoimidazol-4-carboxamide, hydrochloride PubChem CID: 66146 IUPAC Name: 4-amino-1H-imidazole-5-carboxamide;hydrochloride SMILES: Cl.NC(=O)C1=C(N)N=CN1
PubChem CID | 66146 |
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CAS | 72-40-2 |
Molecular Weight (g/mol) | 162.58 |
MDL Number | MFCD00012704 |
SMILES | Cl.NC(=O)C1=C(N)N=CN1 |
Synonym | 4-amino-5-imidazolecarboxamide hydrochloride,5-amino-4-imidazolecarboxamide hydrochloride,5-amino-1h-imidazole-4-carboxamide hydrochloride,5-aminoimidazole-4-carboxamide hydrochloride,aic .cntdot. hcl,4-amino-1h-imidazole-5-carboxamide hydrochloride,aminoimidazolecarboxamide hydrochloride,4-aminoimidazole-5-carboxamide hydrochloride,1h-imidazole-4-carboxamide, 5-amino-, monohydrochloride,5-aminoimidazol-4-carboxamide, hydrochloride |
IUPAC Name | 4-amino-1H-imidazole-5-carboxamide;hydrochloride |
InChI Key | MXCUYSMIELHIQL-UHFFFAOYSA-N |
Molecular Formula | C4H7ClN4O |
Methylenediformamide, 97%
CAS: 6921-98-8 Molecular Formula: C3H6N2O2 Molecular Weight (g/mol): 102.093 MDL Number: MFCD00021038 InChI Key: QPJQPYQZFKFTHG-UHFFFAOYSA-N Synonym: methylenediformamide,n,n'-methylenebisformamide,n,n'-methylenediformamide,methylenebisformamide,formamide, n,n'-methylenebis,n-formamidomethyl formamide,n,n'-methylenebis formamide,methylene-bis-formamide,n,n-methylenebisformamide,acmc-1b7ve PubChem CID: 81339 IUPAC Name: N-(formamidomethyl)formamide SMILES: C(NC=O)NC=O
PubChem CID | 81339 |
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CAS | 6921-98-8 |
Molecular Weight (g/mol) | 102.093 |
MDL Number | MFCD00021038 |
SMILES | C(NC=O)NC=O |
Synonym | methylenediformamide,n,n'-methylenebisformamide,n,n'-methylenediformamide,methylenebisformamide,formamide, n,n'-methylenebis,n-formamidomethyl formamide,n,n'-methylenebis formamide,methylene-bis-formamide,n,n-methylenebisformamide,acmc-1b7ve |
IUPAC Name | N-(formamidomethyl)formamide |
InChI Key | QPJQPYQZFKFTHG-UHFFFAOYSA-N |
Molecular Formula | C3H6N2O2 |
Ethyl nonanoate, 97%
CAS: 123-29-5 Molecular Formula: C11H22O2 Molecular Weight (g/mol): 186.30 MDL Number: MFCD00009570 InChI Key: BYEVBITUADOIGY-UHFFFAOYSA-N Synonym: ethyl pelargonate,nonanoic acid, ethyl ester,ethyl nonylate,wine ether,nonanoic acid ethyl ester,natural,ethyl n-nonanoate,unii-ksh683s98j,fema no. 2447,pelargonic acid ethyl ester PubChem CID: 31251 ChEBI: CHEBI:87501 IUPAC Name: ethyl nonanoate SMILES: CCCCCCCCC(=O)OCC
PubChem CID | 31251 |
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CAS | 123-29-5 |
Molecular Weight (g/mol) | 186.30 |
ChEBI | CHEBI:87501 |
MDL Number | MFCD00009570 |
SMILES | CCCCCCCCC(=O)OCC |
Synonym | ethyl pelargonate,nonanoic acid, ethyl ester,ethyl nonylate,wine ether,nonanoic acid ethyl ester,natural,ethyl n-nonanoate,unii-ksh683s98j,fema no. 2447,pelargonic acid ethyl ester |
IUPAC Name | ethyl nonanoate |
InChI Key | BYEVBITUADOIGY-UHFFFAOYSA-N |
Molecular Formula | C11H22O2 |
Methyl (S)-(-)-lactate, 97%
CAS: 27871-49-4 Molecular Formula: C4H8O3 Molecular Weight (g/mol): 104.11 MDL Number: MFCD00064265 InChI Key: LPEKGGXMPWTOCB-VKHMYHEASA-N Synonym: methyl s---lactate,methyl l-lactate,s-methyl lactate,--methyl l-lactate,s-lactic acid methyl ester,methyl 2s-2-hydroxypropanoate,--methyl lactate,methyl s-2-hydroxypropionate,propanoic acid, 2-hydroxy-, methyl ester, 2s,--lactic acid methyl ester PubChem CID: 94386 ChEBI: CHEBI:83222 IUPAC Name: methyl (2S)-2-hydroxypropanoate SMILES: COC(=O)[C@H](C)O
PubChem CID | 94386 |
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CAS | 27871-49-4 |
Molecular Weight (g/mol) | 104.11 |
ChEBI | CHEBI:83222 |
MDL Number | MFCD00064265 |
SMILES | COC(=O)[C@H](C)O |
Synonym | methyl s---lactate,methyl l-lactate,s-methyl lactate,--methyl l-lactate,s-lactic acid methyl ester,methyl 2s-2-hydroxypropanoate,--methyl lactate,methyl s-2-hydroxypropionate,propanoic acid, 2-hydroxy-, methyl ester, 2s,--lactic acid methyl ester |
IUPAC Name | methyl (2S)-2-hydroxypropanoate |
InChI Key | LPEKGGXMPWTOCB-VKHMYHEASA-N |
Molecular Formula | C4H8O3 |
Methyl dichloroacetate, 99%
CAS: 116-54-1 Molecular Formula: C3H4Cl2O2 Molecular Weight (g/mol): 142.963 MDL Number: MFCD00000843 InChI Key: HKMLRUAPIDAGIE-UHFFFAOYSA-N Synonym: methyl dichloroacetate,dichloroacetic acid methyl ester,acetic acid, dichloro-, methyl ester,ccris 7740,acetic acid, 2,2-dichloro-, methyl ester,methyldichloroethanoate,acmc-1brpm,dichloroacetic acid methyl,methyl2,2-dichloroacetate,wln: gygvo1 PubChem CID: 8315 IUPAC Name: methyl 2,2-dichloroacetate SMILES: COC(=O)C(Cl)Cl
PubChem CID | 8315 |
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CAS | 116-54-1 |
Molecular Weight (g/mol) | 142.963 |
MDL Number | MFCD00000843 |
SMILES | COC(=O)C(Cl)Cl |
Synonym | methyl dichloroacetate,dichloroacetic acid methyl ester,acetic acid, dichloro-, methyl ester,ccris 7740,acetic acid, 2,2-dichloro-, methyl ester,methyldichloroethanoate,acmc-1brpm,dichloroacetic acid methyl,methyl2,2-dichloroacetate,wln: gygvo1 |
IUPAC Name | methyl 2,2-dichloroacetate |
InChI Key | HKMLRUAPIDAGIE-UHFFFAOYSA-N |
Molecular Formula | C3H4Cl2O2 |
CAS | 4664-01-1 |
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MDL Number | MFCD00013439 |
Benzothiazole-6-carboxylic acid, 96%
CAS: 3622-35-3 Molecular Formula: C8H5NO2S Molecular Weight (g/mol): 179.19 MDL Number: MFCD00111651 InChI Key: DMPZJACLHDWUFS-UHFFFAOYSA-N Synonym: benzothiazole-6-carboxylic acid,6-benzothiazolecarboxylic acid,benzo d thiazole-6-carboxylic acid,zlchem 73,pubchem9871,enamine_005417,benzothiazole-6-carboxylic,6-benzothiazolecarboxylicacid,6-benzothiazole carboxylic acid,cl-cob-iii-274-2 PubChem CID: 601670 IUPAC Name: 1,3-benzothiazole-6-carboxylic acid SMILES: OC(=O)C1=CC=C2N=CSC2=C1
PubChem CID | 601670 |
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CAS | 3622-35-3 |
Molecular Weight (g/mol) | 179.19 |
MDL Number | MFCD00111651 |
SMILES | OC(=O)C1=CC=C2N=CSC2=C1 |
Synonym | benzothiazole-6-carboxylic acid,6-benzothiazolecarboxylic acid,benzo d thiazole-6-carboxylic acid,zlchem 73,pubchem9871,enamine_005417,benzothiazole-6-carboxylic,6-benzothiazolecarboxylicacid,6-benzothiazole carboxylic acid,cl-cob-iii-274-2 |
IUPAC Name | 1,3-benzothiazole-6-carboxylic acid |
InChI Key | DMPZJACLHDWUFS-UHFFFAOYSA-N |
Molecular Formula | C8H5NO2S |
5-Fluorooxindole, 97%
CAS: 56341414 Molecular Formula: C8H6FNO Molecular Weight (g/mol): 151.14 MDL Number: MFCD02179598 InChI Key: DDIIYGHHUMKDGI-UHFFFAOYSA-N Synonym: 5-fluorooxindole,5-fluoroindolin-2-one,5-fluoro-2-oxindole,5-fluoro-1,3-dihydro-2h-indol-2-one,2h-indol-2-one, 5-fluoro-1,3-dihydro,5-fluoro-1,3-dihydro-indol-2-one,5-fluoro-2-indolinone,5-fluoro-2,3-dihydro-1h-indol-2-one,5-fluoro indoline-2-one,5-fluoro-2,3-dihydro-2-oxoindole PubChem CID: 3731012 IUPAC Name: 5-fluoro-1,3-dihydroindol-2-one SMILES: C1C2=C(C=CC(=C2)F)NC1=O
PubChem CID | 3731012 |
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CAS | 56341414 |
Molecular Weight (g/mol) | 151.14 |
MDL Number | MFCD02179598 |
SMILES | C1C2=C(C=CC(=C2)F)NC1=O |
Synonym | 5-fluorooxindole,5-fluoroindolin-2-one,5-fluoro-2-oxindole,5-fluoro-1,3-dihydro-2h-indol-2-one,2h-indol-2-one, 5-fluoro-1,3-dihydro,5-fluoro-1,3-dihydro-indol-2-one,5-fluoro-2-indolinone,5-fluoro-2,3-dihydro-1h-indol-2-one,5-fluoro indoline-2-one,5-fluoro-2,3-dihydro-2-oxoindole |
IUPAC Name | 5-fluoro-1,3-dihydroindol-2-one |
InChI Key | DDIIYGHHUMKDGI-UHFFFAOYSA-N |
Molecular Formula | C8H6FNO |
Dicyclohexylacetic acid, 98+%
CAS: 52034-92-1 Molecular Formula: C14H24O2 Molecular Weight (g/mol): 224.344 MDL Number: MFCD00075017 InChI Key: PGGMEZOUAPIYOY-UHFFFAOYSA-N Synonym: dicyclohexylacetic acid,hexahydro-diphenylessig,dicyclohexyl acetic acid,dicyclohexyl-acetic acid,acmc-20ala4 PubChem CID: 3661562 IUPAC Name: 2,2-dicyclohexylacetic acid SMILES: C1CCC(CC1)C(C2CCCCC2)C(=O)O
PubChem CID | 3661562 |
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CAS | 52034-92-1 |
Molecular Weight (g/mol) | 224.344 |
MDL Number | MFCD00075017 |
SMILES | C1CCC(CC1)C(C2CCCCC2)C(=O)O |
Synonym | dicyclohexylacetic acid,hexahydro-diphenylessig,dicyclohexyl acetic acid,dicyclohexyl-acetic acid,acmc-20ala4 |
IUPAC Name | 2,2-dicyclohexylacetic acid |
InChI Key | PGGMEZOUAPIYOY-UHFFFAOYSA-N |
Molecular Formula | C14H24O2 |
Methyl 4-bromopyrrole-2-carboxylate, 97%, Thermo Scientific Chemicals
CAS: 934-05-4 Molecular Formula: C6H6BrNO2 Molecular Weight (g/mol): 204.023 MDL Number: MFCD00832855 InChI Key: ZXFCRVGOHJHZNF-UHFFFAOYSA-N Synonym: methyl 4-bromopyrrole-2-carboxylate,4-bromo-2-methoxycarbonyl-1h-pyrrole,4-bromo-1h-pyrrole-2-carboxylic acid methyl ester,methyl4-bromo-1h-pyrrole-2-carboxylate,4-bromopyrrole-2-carboxylic acid methyl ester,1h-pyrrole-2-carboxylic acid, 4-bromo-, methyl ester,pubchem13045,acmc-209rlm,ksc497g1p,4-bromo-2-methoxycarbonylpyrrole PubChem CID: 2763594 IUPAC Name: methyl 4-bromo-1H-pyrrole-2-carboxylate SMILES: COC(=O)C1=CC(=CN1)Br
PubChem CID | 2763594 |
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CAS | 934-05-4 |
Molecular Weight (g/mol) | 204.023 |
MDL Number | MFCD00832855 |
SMILES | COC(=O)C1=CC(=CN1)Br |
Synonym | methyl 4-bromopyrrole-2-carboxylate,4-bromo-2-methoxycarbonyl-1h-pyrrole,4-bromo-1h-pyrrole-2-carboxylic acid methyl ester,methyl4-bromo-1h-pyrrole-2-carboxylate,4-bromopyrrole-2-carboxylic acid methyl ester,1h-pyrrole-2-carboxylic acid, 4-bromo-, methyl ester,pubchem13045,acmc-209rlm,ksc497g1p,4-bromo-2-methoxycarbonylpyrrole |
IUPAC Name | methyl 4-bromo-1H-pyrrole-2-carboxylate |
InChI Key | ZXFCRVGOHJHZNF-UHFFFAOYSA-N |
Molecular Formula | C6H6BrNO2 |
3-(2-Fluorophenyl)propionic acid, 96%
CAS: 1643-26-1 Molecular Formula: C9H9FO2 Molecular Weight (g/mol): 168.167 MDL Number: MFCD01310820 InChI Key: GUZLQEOSDXLCKX-UHFFFAOYSA-N PubChem CID: 2063866 IUPAC Name: 3-(2-fluorophenyl)propanoic acid SMILES: C1=CC=C(C(=C1)CCC(=O)O)F
PubChem CID | 2063866 |
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CAS | 1643-26-1 |
Molecular Weight (g/mol) | 168.167 |
MDL Number | MFCD01310820 |
SMILES | C1=CC=C(C(=C1)CCC(=O)O)F |
IUPAC Name | 3-(2-fluorophenyl)propanoic acid |
InChI Key | GUZLQEOSDXLCKX-UHFFFAOYSA-N |
Molecular Formula | C9H9FO2 |
3-(4-Formylphenyl)propionic acid, 96%
CAS: 34961-64-3 Molecular Formula: C10H10O3 Molecular Weight (g/mol): 178.19 MDL Number: MFCD08234824 InChI Key: NRCCSDVEUWXOMG-UHFFFAOYSA-N Synonym: 3-4-formylphenyl propanoic acid,3-4-formylphenyl propionic acid,3-4-formyl-phenyl-propionic acid,3-4-formylphenyl-propionic acid,4-formyldihydrocinnamic acid,4-formylbenzenepropanoic acid,benzenepropanoic acid,4-formyl,3-4-formylphenyl propanoicacid PubChem CID: 19825241 IUPAC Name: 3-(4-formylphenyl)propanoic acid SMILES: OC(=O)CCC1=CC=C(C=O)C=C1
PubChem CID | 19825241 |
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CAS | 34961-64-3 |
Molecular Weight (g/mol) | 178.19 |
MDL Number | MFCD08234824 |
SMILES | OC(=O)CCC1=CC=C(C=O)C=C1 |
Synonym | 3-4-formylphenyl propanoic acid,3-4-formylphenyl propionic acid,3-4-formyl-phenyl-propionic acid,3-4-formylphenyl-propionic acid,4-formyldihydrocinnamic acid,4-formylbenzenepropanoic acid,benzenepropanoic acid,4-formyl,3-4-formylphenyl propanoicacid |
IUPAC Name | 3-(4-formylphenyl)propanoic acid |
InChI Key | NRCCSDVEUWXOMG-UHFFFAOYSA-N |
Molecular Formula | C10H10O3 |