| CAS Number | 55094-97-8 |
| Catalog Number | AG01DIT3(AGN-PC-0OC6Q8) |
| Chemical Name | (S)-Dimethyl 2-hydroxypentanedioate |
| IUPAC Name | dimethyl (2S)-2-hydroxypentanedioate |
| InChI | InChI=1S/C7H12O5/c1-11-6(9)4-3-5(8)7(10)12-2/h5,8H,3-4H2,1-2H3/t5-/m0/s1 |
| InChI Key | SHBLBMNYOOCEFM-YFKPBYRVSA-N |
| MDL Number | MFCD27925326 |
| Molecular Formula | C7H12O5 |
| Molecular Weight | 176.1672 |
| SMILES | [C@H](CCC(=O)OC)(C(=O)OC)O |
| Synonyms | 55094-97-8,
(S)-Dimethyl 2-hydroxypentanedioate,
Pentanedioic acid, 2-hydroxy-, dimethyl ester, (2S)-,
Pentanedioic acid, 2-hydroxy-, 1,5-dimethyl ester, (2S)-,
SCHEMBL14436811,
CTK1F7524,
DTXSID90450818,
Dimethyl (S)-2-hydroxypentanedioate,
MFCD27925326,
AKOS030524476,
(S)-2-Hydroxyglutaric acid dimethyl ester,
Dimethyl (2S)-2-hydroxypentanedioate,
CID10986803,
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| Complexity | 165 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 176.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 176.168g/mol |
| Monoisotopic Mass | 176.068g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 72.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number