| CAS Number | 66212-45-1 |
| Catalog Number | AG00FDQX(AGN-PC-0WAIP2) |
| Chemical Name | (S)-2-Hydroxysuccinic Acid Methyl Ester |
| IUPAC Name | (3S)-3-hydroxy-4-methoxy-4-oxobutanoic acid |
| InChI | InChI=1S/C5H8O5/c1-10-5(9)3(6)2-4(7)8/h3,6H,2H2,1H3,(H,7,8)/t3-/m0/s1 |
| InChI Key | RTSODCRZYKSCLO-VKHMYHEASA-N |
| MDL Number | MFCD16251426 |
| Molecular Formula | C5H8O5 |
| Molecular Weight | 148.1140 |
| SMILES | O[C@@H](CC(=O)O)C(=O)OC |
| Synonyms | (S)-2-Hydroxysuccinic Acid Methyl Ester,
66212-45-1,
(3S)-3-Hydroxy-4-methoxy-4-oxobutanoic acid,
L-Malic acid 1-methyl ester,
L-malic acid monomethyl ester,
SCHEMBL222024,
CTK8F2131,
DTXSID80566614,
RTSODCRZYKSCLO-VKHMYHEASA-N,
ZINC14585673,
AKOS006377434,
FT-0670128,
(2S)-Hydroxybutanedioic Acid 1-Methyl Ester,
I14-9932,
(2S)-2-hydroxy-butanedioic acid 1-mono methyl ester,
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| Complexity | 141 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 148.037g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 148.114g/mol |
| Monoisotopic Mass | 148.037g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 83.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number