| CAS Number | 88271-13-0 |
| Catalog Number | AG004BJZ(AGN-PC-0OLL2Z) |
| Chemical Name | (S)-ethyl 2-hydroxybutanoate |
| IUPAC Name | ethyl (2S)-2-hydroxybutanoate |
| InChI | InChI=1S/C6H12O3/c1-3-5(7)6(8)9-4-2/h5,7H,3-4H2,1-2H3/t5-/m0/s1 |
| InChI Key | KWWOQRSLYPHAMK-YFKPBYRVSA-N |
| MDL Number | MFCD22418998 |
| Molecular Formula | C6H12O3 |
| Molecular Weight | 132.1577 |
| SMILES | CC[C@H](O)C(OCC)=O |
| Synonyms | ethyl (2S)-2-hydroxybutanoate,
88271-13-0,
Butanoic acid, 2-hydroxy-, ethyl ester, (2S)-,
SCHEMBL3360225,
CTK3B4848,
DTXSID70508801,
ZINC9915897,
(2S)-2-Hydroxybutyric acid ethyl ester,
|
| Complexity | 90.3 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 132.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 132.159g/mol |
| Monoisotopic Mass | 132.079g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
|
3
|
|
Hazard statements
|
H227
|
|
Packing Group
|
Ⅲ
|
|
Precautionary statements
|
P210-P280-P370+P378-P403+P235-P501
|
|
UN Code
|
UN 1993
|
Certificate of Analysis
Lot Number