2-(Acetyloxy)-1-phenylethanone
Properties
- Molecular formula
- C10H10O3
- Molar mass
- 178.19 g/mol
- Exact mass
- 178.0630 Da
- Melting point
- 49 °C
- Boiling point
- 270 °C
- logP
- 1.43Crippen estimate
- Polar surface area
- 43.4 Ų
- H-bond donors / acceptors
- 0 / 3
- Rotatable bonds
- 3
Identifiers
CAS number
2243-35-8SMILES
CC(=O)OCC(=O)c1ccccc1InChIKey
BGAXCPSNMHVHJC-UHFFFAOYSA-NInChI
InChI=1S/C10H10O3/c1-8(11)13-7-10(12)9-5-3-2-4-6-9/h2-6H,7H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
11 names
- Ethanone, 2-(acetyloxy)-1-phenyl-
- Acetophenone, 2-hydroxy-, acetate
- ω-Acetoxyacetophenone
- Phenacyl acetate
- 2-Hydroxyacetophenoneacetate
- α-Acetoxyacetophenone
- 2-Acetoxyacetophenone
- Acetic acid 2-oxo-2-phenylethyl ester
- NSC 9837
- Benzoylmethyl acetate
- 2-Oxo-2-phenylethyl acetate
Work with 2-(Acetyloxy)-1-phenylethanone
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
2-Methoxy-1-phenylethanone4079-52-159 % similar
Benzyl acetate140-11-455 % similar
2-Phenoxy-1-phenylethanone721-04-055 % similar
Phenethyl acetate103-45-753 % similar
3-Phenylpropyl acetate122-72-551 % similar
Cinnamyl acetate103-54-851 % similar
1,4-Diphenyl-1,4-butanedione495-71-650 % similar
Ethylene glycol phenyl ether acetate6192-44-550 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds