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Ethyl (3R) -3-hydroxybutanoate

CAT: 1266-JH661923Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1266-JH661923Size:1 Each
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CAS Number
24915-95-5
Stability
Stable at room temperature in closed containers under normal storage and handling conditions.
Molecular Formula
C6H12O3
Molecular Weight
132.16
Product Name Synonym
Ethyl (R) -3-Hydroxybutyrate
Physical Properties
Clear colorless liquid
Safety Statements
S24/25
Density
1.017
Flash Point
64.5oC
Melting Point
115-120oC

Chemical Information

ethyl (3R)-3-hydroxybutanoate

Ethyl (R)-3-hydroxybutanoate is an ethyl 3-hydroxybutyrate. It is functionally related to a (R)-3-hydroxybutyric acid.

CAS Number24915-95-5
PubChem CID440030
IUPAC Nameethyl (3R)-3-hydroxybutanoate
Molecular FormulaC6H12O3
Molecular Weight132.16
XLogP0.2
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count9
Formal Charge0
Complexity90
SMILES
CCOC(=O)C[C@@H](C)O
InChI
InChI=1S/C6H12O3/c1-3-9-6(8)4-5(2)7/h5,7H,3-4H2,1-2H3/t5-/m1/s1
InChIKey
OMSUIQOIVADKIM-RXMQYKEDSA-N
Chemical Structure
2D Structure
2D structure of ethyl (3R)-3-hydroxybutanoate
CAS: 24915-95-5
CID: 440030
Formula: C6H12O3
MW: 132.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight132.16
XLogP30.2
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 Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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