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Ethyl 2-Hydroxybutyrate

CAT: 0024-sc-294504ASize: 25 gDry Ice: NoHazardous: No
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CAT#:0024-sc-294504ASize:25 g
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CAS Number
52089-54-0

Chemical Information

(R)-ethyl 2-hydroxybutanoate

Ethyl 2-hydroxybutanoate is an organic molecular entity.

CAS Number52089-54-0
PubChem CID521365
IUPAC Nameethyl 2-hydroxybutanoate
Molecular FormulaC6H12O3
Molecular Weight132.16
XLogP0.8
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count9
Formal Charge0
Complexity90
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
InChIKey
KWWOQRSLYPHAMK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (R)-ethyl 2-hydroxybutanoate
CAS: 52089-54-0
CID: 521365
Formula: C6H12O3
MW: 132.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight132.16
XLogP30.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass132.078644241
Monoisotopic Mass132.078644241
Topological Polar Surface Area46.5 Ų
Heavy Atom Count9
Formal Charge0
Complexity90.3
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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449105Ethyl 3-Hydroxybutyrate-13C4
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