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2-(Acetyloxy)-1-phenylethanone

CAT: 0572-TRC-A187770-5GSize: 5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-A187770-5GSize:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2243-35-8
Synonyms
2-Acetoxyacetophenone; 2-Hydroxyacetophenoneacetate; Acetic Acid 2-oxo-2-phenylethyl Ester; Benzoylmethyl acetate; NSC 9837; Phenacyl acetate; alpha-Acetoxyacetophenone; ω-Acetoxyacetophenone
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
CC(=O)OCC(=O)c1ccccc1
Molecular Formula
C10H10O3
Molecular Weight
178.18
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Ethanone, 2-(acetyloxy)-1-phenyl-
CAS Number2243-35-8
PubChem CID222851
IUPAC Namephenacyl acetate
Molecular FormulaC10H10O3
Molecular Weight178.18
XLogP1.5
Topological Polar Surface Area43.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count13
Formal Charge0
Complexity192
SMILES
CC(=O)OCC(=O)C1=CC=CC=C1
InChI
InChI=1S/C10H10O3/c1-8(11)13-7-10(12)9-5-3-2-4-6-9/h2-6H,7H2,1H3
InChIKey
BGAXCPSNMHVHJC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethanone, 2-(acetyloxy)-1-phenyl-
CAS: 2243-35-8
CID: 222851
Formula: C10H10O3
MW: 178.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight178.18
XLogP31.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass178.062994177
Monoisotopic Mass178.062994177
Topological Polar Surface Area43.4 Ų
Heavy Atom Count13
Formal Charge0
Complexity192
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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