Carboxylic acids and derivatives















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Ethylenediaminetetraacetic Acid, Honeywell Fluka™
CAS: 60-00-4 Molecular Formula: C10H16N2O8 Molecular Weight (g/mol): 292.24 MDL Number: MFCD00003541 InChI Key: KCXVZYZYPLLWCC-UHFFFAOYSA-N Synonym: edta,edetic acid,ethylenediaminetetraacetic acid,edathamil,versene,endrate,havidote,titriplex,edta acid,sequestrol PubChem CID: 6049 ChEBI: CHEBI:42191 SMILES: OC(=O)CN(CCN(CC(O)=O)CC(O)=O)CC(O)=O
PubChem CID | 6049 |
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CAS | 60-00-4 |
Molecular Weight (g/mol) | 292.24 |
ChEBI | CHEBI:42191 |
MDL Number | MFCD00003541 |
SMILES | OC(=O)CN(CCN(CC(O)=O)CC(O)=O)CC(O)=O |
Synonym | edta,edetic acid,ethylenediaminetetraacetic acid,edathamil,versene,endrate,havidote,titriplex,edta acid,sequestrol |
InChI Key | KCXVZYZYPLLWCC-UHFFFAOYSA-N |
Molecular Formula | C10H16N2O8 |
2-Carbamoylbenzeneboronic acid, 96%
CAS: 380430-54-6 Molecular Formula: C7H8BNO3 Molecular Weight (g/mol): 164.955 MDL Number: MFCD02179454 InChI Key: LBWJTKOVBMVJJX-UHFFFAOYSA-N Synonym: 2-aminocarbonylphenylboronic acid,2-carbamoylphenyl boronic acid,2-carbamoylbenzeneboronic acid,2-aminocarbonyl benzeneboronic acid,2-boronobenzamide,boronic acid, 2-aminocarbonyl phenyl,2-aminocarbonylphenyl boronic acid,2-aminocarbonyl phenylboronic acid,boronic acid,b-2-aminocarbonyl phenyl,pubchem1766 PubChem CID: 2737809 IUPAC Name: (2-carbamoylphenyl)boronic acid SMILES: B(C1=CC=CC=C1C(=O)N)(O)O
PubChem CID | 2737809 |
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CAS | 380430-54-6 |
Molecular Weight (g/mol) | 164.955 |
MDL Number | MFCD02179454 |
SMILES | B(C1=CC=CC=C1C(=O)N)(O)O |
Synonym | 2-aminocarbonylphenylboronic acid,2-carbamoylphenyl boronic acid,2-carbamoylbenzeneboronic acid,2-aminocarbonyl benzeneboronic acid,2-boronobenzamide,boronic acid, 2-aminocarbonyl phenyl,2-aminocarbonylphenyl boronic acid,2-aminocarbonyl phenylboronic acid,boronic acid,b-2-aminocarbonyl phenyl,pubchem1766 |
IUPAC Name | (2-carbamoylphenyl)boronic acid |
InChI Key | LBWJTKOVBMVJJX-UHFFFAOYSA-N |
Molecular Formula | C7H8BNO3 |
Ethyl dimethylpyruvate, 97%
CAS: 20201-24-5 Molecular Formula: C7H12O3 Molecular Weight (g/mol): 144.17 MDL Number: MFCD00009122 InChI Key: CKTYYUQUWFEUCO-UHFFFAOYSA-N Synonym: ethyl 3-methyl-2-oxobutyrate,ethyl dimethylpyruvate,ethyl 2-oxo-3-methylbutanoate,butanoic acid, 3-methyl-2-oxo-, ethyl ester,acmc-20akzg,ketovaline ethyl ester,pubchem18179,ethyl3-methyl-2-oxobutanoate,ethyl 2-methyl-2-oxobutyrate,ethyl-3-methyl-2-oxobutanoate PubChem CID: 88406 IUPAC Name: ethyl 3-methyl-2-oxobutanoate SMILES: CCOC(=O)C(=O)C(C)C
PubChem CID | 88406 |
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CAS | 20201-24-5 |
Molecular Weight (g/mol) | 144.17 |
MDL Number | MFCD00009122 |
SMILES | CCOC(=O)C(=O)C(C)C |
Synonym | ethyl 3-methyl-2-oxobutyrate,ethyl dimethylpyruvate,ethyl 2-oxo-3-methylbutanoate,butanoic acid, 3-methyl-2-oxo-, ethyl ester,acmc-20akzg,ketovaline ethyl ester,pubchem18179,ethyl3-methyl-2-oxobutanoate,ethyl 2-methyl-2-oxobutyrate,ethyl-3-methyl-2-oxobutanoate |
IUPAC Name | ethyl 3-methyl-2-oxobutanoate |
InChI Key | CKTYYUQUWFEUCO-UHFFFAOYSA-N |
Molecular Formula | C7H12O3 |
CAS | 6097-08-1 |
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MDL Number | MFCD00671372 |
6-Bromooxindole, 97%
CAS: 99365-40-9 Molecular Formula: C8H6BrNO Molecular Weight (g/mol): 212.05 MDL Number: MFCD02179605,MFCD22576660 InChI Key: JARRYVQFBQVOBE-UHFFFAOYSA-N Synonym: 6-bromooxindole,6-bromoindolin-2-one,6-bromo-2-oxindole,6-bromo-1,3-dihydro-2h-indol-2-one,6-bromo-2-oxyindole,6-bromo-1,3-dihydro-indol-2-one,6-bromo-2-indolinone,6-bromooxindol,6-bromo-2,3-dihydro-1h-indol-2-one,2h-indol-2-one, 6-bromo-1,3-dihydro PubChem CID: 2773289 IUPAC Name: 6-bromo-1,3-dihydroindol-2-one SMILES: BrC1=CC=C2CC(=O)NC2=C1
PubChem CID | 2773289 |
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CAS | 99365-40-9 |
Molecular Weight (g/mol) | 212.05 |
MDL Number | MFCD02179605,MFCD22576660 |
SMILES | BrC1=CC=C2CC(=O)NC2=C1 |
Synonym | 6-bromooxindole,6-bromoindolin-2-one,6-bromo-2-oxindole,6-bromo-1,3-dihydro-2h-indol-2-one,6-bromo-2-oxyindole,6-bromo-1,3-dihydro-indol-2-one,6-bromo-2-indolinone,6-bromooxindol,6-bromo-2,3-dihydro-1h-indol-2-one,2h-indol-2-one, 6-bromo-1,3-dihydro |
IUPAC Name | 6-bromo-1,3-dihydroindol-2-one |
InChI Key | JARRYVQFBQVOBE-UHFFFAOYSA-N |
Molecular Formula | C8H6BrNO |
Sodium 4-hydroxybenzoate, 99+%
CAS: 114-63-6 Molecular Formula: C7H5NaO3 Molecular Weight (g/mol): 160.10 MDL Number: MFCD00016530 InChI Key: ZLVSYODPTJZFMK-UHFFFAOYSA-M Synonym: sodium 4-hydroxybenzoate,sodium p-hydroxybenzoate,4-hydroxybenzoic acid sodium salt,sodium paraben,benzoic acid, 4-hydroxy-, monosodium salt,p-hydroxybenzoic acid sodium salt,monosodium p-hydroxybenzoate,monosodium 4-hydroxybenzoate,benzoic acid, p-hydroxy-, sodium salt,benzoic acid, 4-hydroxy-, sodium salt 1:1 PubChem CID: 16219477 SMILES: [Na+].OC1=CC=C(C=C1)C([O-])=O
PubChem CID | 16219477 |
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CAS | 114-63-6 |
Molecular Weight (g/mol) | 160.10 |
MDL Number | MFCD00016530 |
SMILES | [Na+].OC1=CC=C(C=C1)C([O-])=O |
Synonym | sodium 4-hydroxybenzoate,sodium p-hydroxybenzoate,4-hydroxybenzoic acid sodium salt,sodium paraben,benzoic acid, 4-hydroxy-, monosodium salt,p-hydroxybenzoic acid sodium salt,monosodium p-hydroxybenzoate,monosodium 4-hydroxybenzoate,benzoic acid, p-hydroxy-, sodium salt,benzoic acid, 4-hydroxy-, sodium salt 1:1 |
InChI Key | ZLVSYODPTJZFMK-UHFFFAOYSA-M |
Molecular Formula | C7H5NaO3 |
3-(2-Pyridyl)propionic acid, 97%
CAS: 15197-75-8 Molecular Formula: C8H9NO2 Molecular Weight (g/mol): 151.165 MDL Number: MFCD00995159 InChI Key: AZYKGQOIAGPVCK-UHFFFAOYSA-N Synonym: 3-pyridin-2-yl propanoic acid,3-2-pyridyl propionic acid,3-pyridin-2-yl-propionic acid,2-pyridinepropanoic acid,3-2-pyridinyl propanoic acid,pyridine-2-propionic acid,2-3-pyridyl propionic acid,3-2-pyridyl propanoic acid,3-2-pyridyl-propionic acid,2-pyridinepropanoicacid PubChem CID: 564292 IUPAC Name: 3-pyridin-2-ylpropanoic acid SMILES: C1=CC=NC(=C1)CCC(=O)O
PubChem CID | 564292 |
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CAS | 15197-75-8 |
Molecular Weight (g/mol) | 151.165 |
MDL Number | MFCD00995159 |
SMILES | C1=CC=NC(=C1)CCC(=O)O |
Synonym | 3-pyridin-2-yl propanoic acid,3-2-pyridyl propionic acid,3-pyridin-2-yl-propionic acid,2-pyridinepropanoic acid,3-2-pyridinyl propanoic acid,pyridine-2-propionic acid,2-3-pyridyl propionic acid,3-2-pyridyl propanoic acid,3-2-pyridyl-propionic acid,2-pyridinepropanoicacid |
IUPAC Name | 3-pyridin-2-ylpropanoic acid |
InChI Key | AZYKGQOIAGPVCK-UHFFFAOYSA-N |
Molecular Formula | C8H9NO2 |
4-Bromophthalimide, 97+%
CAS: 6941-75-9 Molecular Formula: C8H4BrNO2 Molecular Weight (g/mol): 226.029 MDL Number: MFCD00466049 InChI Key: GNYICZVGHULCHE-UHFFFAOYSA-N Synonym: 4-bromophthalimide,5-bromoisoindoline-1,3-dione,5-bromo-isoindole-1,3-dione,5-bromo-2,3-dihydro-1h-isoindole-1,3-dione,4-bromo phthalimide,5-bromo-1h-isoindole-1,3 2h-dione,1h-isoindole-1,3 2h-dione, 5-bromo,5-bromo-2h-isoindole-1,3-dione,5-bromophthalimide,acmc-209o8b PubChem CID: 236018 IUPAC Name: 5-bromoisoindole-1,3-dione SMILES: C1=CC2=C(C=C1Br)C(=O)NC2=O
PubChem CID | 236018 |
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CAS | 6941-75-9 |
Molecular Weight (g/mol) | 226.029 |
MDL Number | MFCD00466049 |
SMILES | C1=CC2=C(C=C1Br)C(=O)NC2=O |
Synonym | 4-bromophthalimide,5-bromoisoindoline-1,3-dione,5-bromo-isoindole-1,3-dione,5-bromo-2,3-dihydro-1h-isoindole-1,3-dione,4-bromo phthalimide,5-bromo-1h-isoindole-1,3 2h-dione,1h-isoindole-1,3 2h-dione, 5-bromo,5-bromo-2h-isoindole-1,3-dione,5-bromophthalimide,acmc-209o8b |
IUPAC Name | 5-bromoisoindole-1,3-dione |
InChI Key | GNYICZVGHULCHE-UHFFFAOYSA-N |
Molecular Formula | C8H4BrNO2 |
2-(2-Phthalimidoethoxy)acetic acid, 97%
CAS: 69676-65-9 Molecular Formula: C12H11NO5 Molecular Weight (g/mol): 249.22 MDL Number: MFCD06661364 InChI Key: PHZYUQLIZKTSJE-UHFFFAOYSA-N Synonym: 2-2-1,3-dioxoisoindolin-2-yl ethoxy acetic acid,2-2-phthalimidoethoxy acetic acid,2-2-phthalimidoethoxy-acetic acid,2-1,3-dioxoisoindol-2-yl ethoxy acetic acid,2-2-1,3-dioxoisoindol-2-yl ethoxy acetic acid,2-phthalimido ethoxyacetic acid,2-1,3-dioxoisoindolin-2-yl ethoxy acetic acid,2-2-1,3-dioxoisoindolin-2-yl ethoxy aceticacid,2-1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl ethoxy acetic acid,2-2-1,3-dioxo-2,3-dihydro-1h-isoindol-2-yl ethoxy acetic acid PubChem CID: 2755407 IUPAC Name: 2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]acetic acid SMILES: OC(=O)COCCN1C(=O)C2=CC=CC=C2C1=O
PubChem CID | 2755407 |
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CAS | 69676-65-9 |
Molecular Weight (g/mol) | 249.22 |
MDL Number | MFCD06661364 |
SMILES | OC(=O)COCCN1C(=O)C2=CC=CC=C2C1=O |
Synonym | 2-2-1,3-dioxoisoindolin-2-yl ethoxy acetic acid,2-2-phthalimidoethoxy acetic acid,2-2-phthalimidoethoxy-acetic acid,2-1,3-dioxoisoindol-2-yl ethoxy acetic acid,2-2-1,3-dioxoisoindol-2-yl ethoxy acetic acid,2-phthalimido ethoxyacetic acid,2-1,3-dioxoisoindolin-2-yl ethoxy acetic acid,2-2-1,3-dioxoisoindolin-2-yl ethoxy aceticacid,2-1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl ethoxy acetic acid,2-2-1,3-dioxo-2,3-dihydro-1h-isoindol-2-yl ethoxy acetic acid |
IUPAC Name | 2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]acetic acid |
InChI Key | PHZYUQLIZKTSJE-UHFFFAOYSA-N |
Molecular Formula | C12H11NO5 |
Pyridazine-3-carboxylic acid, 97%
CAS: 2164-61-6 Molecular Formula: C5H4N2O2 Molecular Weight (g/mol): 124.099 MDL Number: MFCD01646333 InChI Key: RUUOPSRRIKJHNH-UHFFFAOYSA-N Synonym: 3-pyridazinecarboxylic acid,3-carboxypyridazine,3-pyridazine carboxylic acid,pubchem22109,pyridazine carboxylic acid,ksc202q0p,pyridazine-3-carboxylic acid,3-carboxypyridazine; 3-pyridazinecarboxylic acid; PubChem CID: 269369 IUPAC Name: pyridazine-3-carboxylic acid SMILES: C1=CC(=NN=C1)C(=O)O
PubChem CID | 269369 |
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CAS | 2164-61-6 |
Molecular Weight (g/mol) | 124.099 |
MDL Number | MFCD01646333 |
SMILES | C1=CC(=NN=C1)C(=O)O |
Synonym | 3-pyridazinecarboxylic acid,3-carboxypyridazine,3-pyridazine carboxylic acid,pubchem22109,pyridazine carboxylic acid,ksc202q0p,pyridazine-3-carboxylic acid,3-carboxypyridazine; 3-pyridazinecarboxylic acid; |
IUPAC Name | pyridazine-3-carboxylic acid |
InChI Key | RUUOPSRRIKJHNH-UHFFFAOYSA-N |
Molecular Formula | C5H4N2O2 |
Methyl 1H-pyrazole-3-carboxylate, 97%, Thermo Scientific Chemicals
CAS: 15366-34-4 Molecular Formula: C5H6N2O2 Molecular Weight (g/mol): 126.115 MDL Number: MFCD00649381 InChI Key: ORUCTBNNYKZMSK-UHFFFAOYSA-N Synonym: methyl 1h-pyrazole-3-carboxylate,1h-pyrazole-3-carboxylic acid methyl ester,methyl pyrazole-3-carboxylate,2h-pyrazole-3-carboxylic acid methyl ester,3-methoxycarbonylpyrazole,pyrazole-3-carboxylic acid methyl ester,methyl 2h-pyrazole-3-carboxylate,1h-pyrazole-3-carboxylic acid, methyl ester,pubchem14332,5-methoxycarbonylpyrazole PubChem CID: 565662 IUPAC Name: methyl 1H-pyrazole-5-carboxylate SMILES: COC(=O)C1=CC=NN1
PubChem CID | 565662 |
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CAS | 15366-34-4 |
Molecular Weight (g/mol) | 126.115 |
MDL Number | MFCD00649381 |
SMILES | COC(=O)C1=CC=NN1 |
Synonym | methyl 1h-pyrazole-3-carboxylate,1h-pyrazole-3-carboxylic acid methyl ester,methyl pyrazole-3-carboxylate,2h-pyrazole-3-carboxylic acid methyl ester,3-methoxycarbonylpyrazole,pyrazole-3-carboxylic acid methyl ester,methyl 2h-pyrazole-3-carboxylate,1h-pyrazole-3-carboxylic acid, methyl ester,pubchem14332,5-methoxycarbonylpyrazole |
IUPAC Name | methyl 1H-pyrazole-5-carboxylate |
InChI Key | ORUCTBNNYKZMSK-UHFFFAOYSA-N |
Molecular Formula | C5H6N2O2 |
3-(3-Methylphenyl)propionic acid, 96%
CAS: 3751-48-2 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.204 MDL Number: MFCD00060326 InChI Key: VWXVTHDQAOAENP-UHFFFAOYSA-N Synonym: 3-3-methylphenyl propionic acid,3-3-methylphenyl propanoic acid,3-m-tolyl propanoic acid,3-m-tolylpropionic acid,3-m-tolylpropanoic acid,propionic acid, 3-3-methylphenyl,3-m-tolyl-propionic acid,3-methylhydrocinnamic acid,hydrocinnamicacid,m-methyl,3-methylbenzenepropanoic acid PubChem CID: 138042 IUPAC Name: 3-(3-methylphenyl)propanoic acid SMILES: CC1=CC(=CC=C1)CCC(=O)O
PubChem CID | 138042 |
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CAS | 3751-48-2 |
Molecular Weight (g/mol) | 164.204 |
MDL Number | MFCD00060326 |
SMILES | CC1=CC(=CC=C1)CCC(=O)O |
Synonym | 3-3-methylphenyl propionic acid,3-3-methylphenyl propanoic acid,3-m-tolyl propanoic acid,3-m-tolylpropionic acid,3-m-tolylpropanoic acid,propionic acid, 3-3-methylphenyl,3-m-tolyl-propionic acid,3-methylhydrocinnamic acid,hydrocinnamicacid,m-methyl,3-methylbenzenepropanoic acid |
IUPAC Name | 3-(3-methylphenyl)propanoic acid |
InChI Key | VWXVTHDQAOAENP-UHFFFAOYSA-N |
Molecular Formula | C10H12O2 |
3-(4-Chlorophenyl)propionic acid, 94%
CAS: 2019-34-3 Molecular Formula: C9H9ClO2 Molecular Weight (g/mol): 184.619 MDL Number: MFCD00016555 InChI Key: BBSLOKZINKEUCR-UHFFFAOYSA-N Synonym: 3-4-chlorophenyl propanoic acid,3-4-chlorophenyl propionic acid,benzenepropanoic acid, 4-chloro,4-chlorophenylpropionic acid,p-chlorohydrocinnamic acid,3-4-chlorophenyl-propionic acid,4-chlorobenzenepropanoic acid,3-4-chloro-phenyl-propionic acid,3-p-chlorophenyl propionic acid,4-chlorohydrocinnamic acid PubChem CID: 123137 IUPAC Name: 3-(4-chlorophenyl)propanoic acid SMILES: C1=CC(=CC=C1CCC(=O)O)Cl
PubChem CID | 123137 |
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CAS | 2019-34-3 |
Molecular Weight (g/mol) | 184.619 |
MDL Number | MFCD00016555 |
SMILES | C1=CC(=CC=C1CCC(=O)O)Cl |
Synonym | 3-4-chlorophenyl propanoic acid,3-4-chlorophenyl propionic acid,benzenepropanoic acid, 4-chloro,4-chlorophenylpropionic acid,p-chlorohydrocinnamic acid,3-4-chlorophenyl-propionic acid,4-chlorobenzenepropanoic acid,3-4-chloro-phenyl-propionic acid,3-p-chlorophenyl propionic acid,4-chlorohydrocinnamic acid |
IUPAC Name | 3-(4-chlorophenyl)propanoic acid |
InChI Key | BBSLOKZINKEUCR-UHFFFAOYSA-N |
Molecular Formula | C9H9ClO2 |
1,3,5-Tri(4-carboxyphenyl)benzene, 97%
CAS: 50446-44-1 Molecular Formula: C27H18O6 Molecular Weight (g/mol): 438.44 MDL Number: MFCD10000888 InChI Key: SATWKVZGMWCXOJ-UHFFFAOYSA-N Synonym: 1,3,5-tris 4-carboxyphenyl benzene,1,3,5-tri 4-carboxyphenyl benzene,5'-4-carboxyphenyl-1,1':3',1-terphenyl-4,4-dicarboxylic acid,1,1':3',1-terphenyl-4,4-dicarboxylic acid, 5'-4-carboxyphenyl,acmc-209kmn,h3btb,4,4?,4??,-benzene-1,3,5-triyl-tris benzoic acid,1,3,5-tris 4-carboxyphenyl benzene, ≤20 wt. % solvent,3',5'-bis 4-carboxyphenyl-1,1'-biphenyl-4-carboxylic acid,5'-4-carboxyphenyl-1,1':3',1-terphenyl-4,4-dicarboxylicacid PubChem CID: 10694305 IUPAC Name: 4-[3,5-bis(4-carboxyphenyl)phenyl]benzoic acid SMILES: OC(=O)C1=CC=C(C=C1)C1=CC(=CC(=C1)C1=CC=C(C=C1)C(O)=O)C1=CC=C(C=C1)C(O)=O
PubChem CID | 10694305 |
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CAS | 50446-44-1 |
Molecular Weight (g/mol) | 438.44 |
MDL Number | MFCD10000888 |
SMILES | OC(=O)C1=CC=C(C=C1)C1=CC(=CC(=C1)C1=CC=C(C=C1)C(O)=O)C1=CC=C(C=C1)C(O)=O |
Synonym | 1,3,5-tris 4-carboxyphenyl benzene,1,3,5-tri 4-carboxyphenyl benzene,5'-4-carboxyphenyl-1,1':3',1-terphenyl-4,4-dicarboxylic acid,1,1':3',1-terphenyl-4,4-dicarboxylic acid, 5'-4-carboxyphenyl,acmc-209kmn,h3btb,4,4?,4??,-benzene-1,3,5-triyl-tris benzoic acid,1,3,5-tris 4-carboxyphenyl benzene, ≤20 wt. % solvent,3',5'-bis 4-carboxyphenyl-1,1'-biphenyl-4-carboxylic acid,5'-4-carboxyphenyl-1,1':3',1-terphenyl-4,4-dicarboxylicacid |
IUPAC Name | 4-[3,5-bis(4-carboxyphenyl)phenyl]benzoic acid |
InChI Key | SATWKVZGMWCXOJ-UHFFFAOYSA-N |
Molecular Formula | C27H18O6 |
Methyl DL-lactate, 99%
CAS: 547-64-8 Molecular Formula: C4H8O3 Molecular Weight (g/mol): 104.105 MDL Number: MFCD00066367 InChI Key: LPEKGGXMPWTOCB-UHFFFAOYSA-N Synonym: methyl lactate,dl-methyl lactate,methyl dl-lactate,lactic acid methyl ester,methyl 2-hydroxypropionate,lactic acid, methyl ester,+--methyl lactate,propanoic acid, 2-hydroxy-, methyl ester,methyl alpha-hydroxypropionate,methyl-lactate PubChem CID: 11040 ChEBI: CHEBI:83221 IUPAC Name: methyl 2-hydroxypropanoate SMILES: CC(C(=O)OC)O
PubChem CID | 11040 |
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CAS | 547-64-8 |
Molecular Weight (g/mol) | 104.105 |
ChEBI | CHEBI:83221 |
MDL Number | MFCD00066367 |
SMILES | CC(C(=O)OC)O |
Synonym | methyl lactate,dl-methyl lactate,methyl dl-lactate,lactic acid methyl ester,methyl 2-hydroxypropionate,lactic acid, methyl ester,+--methyl lactate,propanoic acid, 2-hydroxy-, methyl ester,methyl alpha-hydroxypropionate,methyl-lactate |
IUPAC Name | methyl 2-hydroxypropanoate |
InChI Key | LPEKGGXMPWTOCB-UHFFFAOYSA-N |
Molecular Formula | C4H8O3 |