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L-Phenylacetyl Carbinol

CAT: 0572-TRC-P306300-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-P306300-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
53439-91-1
Synonyms
2-Propanone, 1-hydroxy-1-phenyl-, (S)-; (1S)-1-Hydroxy-1-phenyl-2-propanone; (+)-Phenylacetyl carbinol; (S)-1-Hydroxy-1-phenyl-2-propanone; (S)-1-Hydroxy-1-phenylpropanone; (S)-Phenylacetyl carbinol; L-Phenylacetylcarbinol; (S)-1-Hydroxy-1-phenylpropan-2-one
Hazard Statement
Not a hazardous substance according to GHS.
Smiles
CC(=O)[C@@H](O)c1ccccc1
Molecular Formula
C9 H10 O2
Molecular Weight
150.17
InChI
InChI=1S/C9H10O2/c1-7(10)9(11)8-5-3-2-4-6-8/h2-6,9,11H,1H3/t9-/m1/s1
Additionnal Information
IUPAC name: (1S)-1-hydroxy-1-phenylpropan-2-one
Shipping Conditions
Ice Packs
Storage Conditions
-20°C

Chemical Information

(1S)-1-hydroxy-1-phenylpropan-2-one

(S)-phenylacetylcarbinol is a 1-hydroxy-1-phenylpropan-2-one that has (S)-configuration. It is an enantiomer of a (R)-phenylacetylcarbinol.

CAS Number53439-91-1
PubChem CID9815225
IUPAC Name(1S)-1-hydroxy-1-phenylpropan-2-one
Molecular FormulaC9H10O2
Molecular Weight150.17
XLogP1
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity136
SMILES
CC(=O)[C@H](C1=CC=CC=C1)O
InChI
InChI=1S/C9H10O2/c1-7(10)9(11)8-5-3-2-4-6-8/h2-6,9,11H,1H3/t9-/m1/s1
InChIKey
ZBFFNPODXBJBPW-SECBINFHSA-N
Chemical Structure
2D Structure
2D structure of (1S)-1-hydroxy-1-phenylpropan-2-one
CAS: 53439-91-1
CID: 9815225
Formula: C9H10O2
MW: 150.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight150.17
XLogP31
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass150.068079557
Monoisotopic Mass150.068079557
Topological Polar Surface Area37.3 Ų
Heavy Atom Count11
Formal Charge0
Complexity136
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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