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(S) -Butyl 2-hydroxybutanoate

CAT: 0013-GTR19243902-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19243902-01Size:1 g
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Description
(S) -Butyl 2-hydroxybutanoate is an intermediate in organic synthesis.
CAS Number
132513-51-0
Purity
>98% (HPLC)
Smiles
CCCCOC (=O) [C@@H] (O) CC
Molecular Formula
C8H16O3
Molecular Weight
160.21
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Butyl (2S)-2-hydroxybutanoate
CAS Number132513-51-0
PubChem CID15986038
IUPAC Namebutyl (2S)-2-hydroxybutanoate
Molecular FormulaC8H16O3
Molecular Weight160.21
XLogP1.6
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count11
Formal Charge0
Complexity112
SMILES
CCCCOC(=O)[C@H](CC)O
InChI
InChI=1S/C8H16O3/c1-3-5-6-11-8(10)7(9)4-2/h7,9H,3-6H2,1-2H3/t7-/m0/s1
InChIKey
YFFBWGUXPFAXRS-ZETCQYMHSA-N
Chemical Structure
2D Structure
2D structure of Butyl (2S)-2-hydroxybutanoate
CAS: 132513-51-0
CID: 15986038
Formula: C8H16O3
MW: 160.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight160.21
XLogP31.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass160.109944368
Monoisotopic Mass160.109944368
Topological Polar Surface Area46.5 Ų
Heavy Atom Count11
Formal Charge0
Complexity112
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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