(S)-(+)-3-Hydroxybutyric Acid Ethyl Ester - CAS 56816-01-4
Catalog: |
BB050216 |
Product Name: |
(S)-(+)-3-Hydroxybutyric Acid Ethyl Ester |
CAS: |
56816-01-4 |
Synonyms: |
Ethyl (S)-3-hydroxybutyrate; (S)-Ethyl 3-hydroxybutanoate; Ethyl (S)-(+)-3-Hydroxybutyrate |
IUPAC Name: | ethyl (3S)-3-hydroxybutanoate |
Description: | (S)-(+)-3-Hydroxybutyric Acid Ethyl Ester (CAS# 56816-01-4 ) is a useful research chemical. |
Molecular Weight: | 132.16 |
Molecular Formula: | C6H12O3 |
Canonical SMILES: | CCOC(=O)CC(C)O |
InChI: | InChI=1S/C6H12O3/c1-3-9-6(8)4-5(2)7/h5,7H,3-4H2,1-2H3/t5-/m0/s1 |
InChI Key: | OMSUIQOIVADKIM-YFKPBYRVSA-N |
Boiling Point: | 175.0±0.0 °C at 760 mmHg |
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: | 0.2 |
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