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Methyl(R)-3-hydroxybutyrate

Catalog Number
ACM3976690
CAS Number
3976-69-0
Product Name
Methyl(R)-3-hydroxybutyrate
Structure
Category
Liquid Crystal (LC) Building Blocks
IUPAC Name
methyl (3R)-3-hydroxybutanoate
Molecular Weight
118.13g/mol
Molecular Formula
C5H10O3
Canonical SMILES
CC(CC(=O)OC)O
InChI
InChI=1S/C5H10O3/c1-4(6)3-5(7)8-2/h4,6H,3H2,1-2H3/t4-/m1/s1
InChI Key
LDLDJEAVRNAEBW-SCSAIBSYSA-N
Purity
>98.0%(GC)
Complexity
79.7
Covalently-Bonded Unit Count
1
EC Number
223-610-0
Exact Mass
118.062994g/mol
Formal Charge
0
Heavy Atom Count
8
Monoisotopic Mass
118.062994g/mol
Rotatable Bond Count
3
UNII
CL06316S38
XLogP3
-0.2
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