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1-Hydroxy-1-phenylpropan-2-one

CAT: 0572-TRC-H100585-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-H100585-250MGSize:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
90-63-1
Synonyms
1-Hydroxy-1-phenyl-2-propanone; 1-Hydroxy-1-phenylacetone; 1-Hydroxy-1-phenylpropan-2-one; 1-Hydroxy-2-oxo-1-phenylpropane; 1-Phenyl-1-hydroxypropan-2-one; 1-Phenyl-2-oxo-1-propanol; 1-Phenylacetylcarbinol; NSC 404583; Phenylacetylcarbinol; alpha-Hydroxybenzyl methyl ketone;
Hazard Statement
Harmful if swallowed.
Purity
>95% (HPLC)
Smiles
CC(=O)C(O)c1ccccc1
Molecular Formula
C9H10O2
Molecular Weight
150.17
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

1-Hydroxy-1-phenyl-2-propanone

1-hydroxy-1-phenylpropan-2-one is a secondary alpha-hydroxy ketone that is benzene which is substituted by a 1-hydroxy-2-oxopropyl group at position 1. It is a member of benzenes, a secondary alpha-hydroxy ketone and a methyl ketone.

CAS Number90-63-1
PubChem CID92733
IUPAC Name1-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(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
InChIKey
ZBFFNPODXBJBPW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Hydroxy-1-phenyl-2-propanone
CAS: 90-63-1
CID: 92733
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 Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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