(S)-Ethyl 2-hydroxybutanoate - CAS 88271-13-0
Catalog: |
BB054682 |
Product Name: |
(S)-Ethyl 2-hydroxybutanoate |
CAS: |
88271-13-0 |
Synonyms: |
ethyl (S)-2-hydroxybutanoate; Butanoic acid, 2-hydroxy-, ethyl ester, (2S)-; (2S)-2-Hydroxybutyric acid ethyl ester |
IUPAC Name: | ethyl (2S)-2-hydroxybutanoate |
Molecular Weight: | 132.16 |
Molecular Formula: | C6H12O3 |
Canonical SMILES: | CCC(C(=O)OCC)O |
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 |
Boiling Point: | 167.0±0.0°C at 760 mmHg |
Purity: | ≥95% |
Density: | 1.0±0.1 g/cm3 |
Complexity: | 90.3 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 132.078644241 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 132.078644241 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 46.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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