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(R) -Methyl 3-hydroxybutanoate

CAT: 0931-TCL-00022-01Size: 25 gDry Ice: NoHazardous: No
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CAT#:0931-TCL-00022-01Size:25 g
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CAS Number
3976-69-0
Bioactivity
(R) -Methyl 3-hydroxybutanoate is an enantiomer where the hydroxyl (-OH) group on the third carbon atom is oriented to the right when viewed from the methyl (-CH3) group. It appears as a colorless and transparent liquid, soluble in organic solvents like ethanol and ether but insoluble in water. This compound is commonly used as a building block in the synthesis of various organic compounds, including pharmaceuticals, agrochemicals, and flavorings. Additionally, it serves as a chiral auxiliary in asymmetric synthesis reactions, which involve the stereoselective formation of chemical bonds.
Smiles
C[C@@H](O)CC(OC)=O
Molecular Formula
C5H10O3
Molecular Weight
118.1311
Shipping Conditions
Ice Packs
Storage Temperature
-20°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...
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