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Ethyl 3-hydroxybutyrate

CAT: 0024-sc-257466Size: 25 gDry Ice: NoHazardous: No
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CAT#:0024-sc-257466Size:25 g
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CAS Number
5405-41-4

Chemical Information

Ethyl 3-Hydroxybutyrate

Ethyl 3-hydroxybutyrate is the fatty acid ethyl ester of 3-hydroxybutyric acid. It has a role as a metabolite. It is functionally related to a 3-hydroxybutyric acid.

CAS Number5405-41-4
PubChem CID62572
IUPAC Nameethyl 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)CC(C)O
InChI
InChI=1S/C6H12O3/c1-3-9-6(8)4-5(2)7/h5,7H,3-4H2,1-2H3
InChIKey
OMSUIQOIVADKIM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethyl 3-Hydroxybutyrate
CAS: 5405-41-4
CID: 62572
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 Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
sc-239879Ethyl (S) -3-hydroxybutyrate
sc-228007Ethyl (R) - (-) -3-hydroxybutyrate
sc-294504AEthyl 2-Hydroxybutyrate
sc-294504Ethyl 2-Hydroxybutyrate
sc-255142Ethyl (R) - (-) -4-cyano-3-hydroxybutyrate
sc-228008Ethyl (R) - (+) -4-bromo-3-hydroxybutyrate
sc-218416Ethyl S- (+) -4-Cyano-3-hydroxybutyrate
sc-239877Ethyl (S) - (-) -4-chloro-3-hydroxybutyrate
sc-228010Ethyl (S) - (-) -4-bromo-3-hydroxybutyrate
sc-234908Ethyl (R) - (+) -4-chloro-3-hydroxybutyrate

Alternative Products

CatalogName
MBS5771912Ethyl 3-hydroxybutyrate
449105Ethyl 3-Hydroxybutyrate-13C4
OR304079-01Ethyl (R) - (-) -3-hydroxybutyrate
448614-01Ethyl (S) -3-Hydroxybutyrate
448609-01Ethyl (R) -3-hydroxybutyrate
HY-W012701SEthyl 3-hydroxybutyrate-d5
OR304080Ethyl (S) - (+) -3-hydroxybutyrate
HY-W012701R-01Ethyl 3-hydroxybutyrate (Standard)
TYD-00327Ethyl 2-Hydroxybutyrate
274813-01Ethyl-4-chloro-3-hydroxybutyrate

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