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Methyl (R)-3-Hydroxybutyrate

CAT: 0572-TRC-M312580-10GSize: 10 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-M312580-10GSize:10 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
3976-69-0
Synonyms
Butanoic acid, 3-hydroxy-, methyl ester, (3R)-; Butanoic acid, 3-hydroxy-, methyl ester, (R)-; Butyric acid, 3-hydroxy-, methyl ester, D-(-)- (8CI); (-)-(3R)-3-Hydroxybutanoic acid methyl ester; (3R)-3-Hydroxybutanoic acid methyl ester; (R)-(-)-3-Hydroxy-
Hazard Statement
Combustible liquid and vapour.
Smiles
COC(=O)C[C@@H](C)O
Molecular Formula
C5 H10 O3
Molecular Weight
118.131
InChI
InChI=1S/C5H10O3/c1-4(6)3-5(7)8-2/h4,6H,3H2,1-2H3/t4-/m1/s1
Additionnal Information
IUPAC name: methyl (3R)-3-hydroxybutanoate
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Methyl 3-hydroxybutyrate, (R)-
CAS Number3976-69-0
PubChem CID2724279
IUPAC Namemethyl (3R)-3-hydroxybutanoate
Molecular FormulaC5H10O3
Molecular Weight118.13
XLogP-0.2
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count8
Formal Charge0
Complexity79
SMILES
C[C@H](CC(=O)OC)O
InChI
InChI=1S/C5H10O3/c1-4(6)3-5(7)8-2/h4,6H,3H2,1-2H3/t4-/m1/s1
InChIKey
LDLDJEAVRNAEBW-SCSAIBSYSA-N
Chemical Structure
2D Structure
2D structure of Methyl 3-hydroxybutyrate, (R)-
CAS: 3976-69-0
CID: 2724279
Formula: C5H10O3
MW: 118.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight118.13
XLogP3-0.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass118.062994177
Monoisotopic Mass118.062994177
Topological Polar Surface Area46.5 Ų
Heavy Atom Count8
Formal Charge0
Complexity79.7
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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454599-01Methyl (R) -3-Hydroxybutyrate
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OR912719(S) -Methyl-4-chloro-3-hydroxybutyrate
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