Benzoylcyclopropane
Properties
- Molecular formula
- C10H10O
- Molar mass
- 146.19 g/mol
- Exact mass
- 146.0732 Da
- Density
- 1.0453 g/mL (at 26 °C)
- Melting point
- −7.9 °C
- Boiling point
- 122 °C
- logP
- 2.28Crippen estimate
- Polar surface area
- 17.1 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 2
Identifiers
CAS number
3481-02-5SMILES
O=C(c1ccccc1)C1CC1InChIKey
PJRHFTYXYCVOSJ-UHFFFAOYSA-NInChI
InChI=1S/C10H10O/c11-10(9-6-7-9)8-4-2-1-3-5-8/h1-5,9H,6-7H2Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
6 names
- Methanone, cyclopropylphenyl-
- Ketone, cyclopropyl phenyl
- Cyclopropylphenylmethanone
- Cyclopropyl phenyl ketone
- Phenyl cyclopropyl ketone
- NSC 10743
Work with Benzoylcyclopropane
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
Cyclobutyl phenyl ketone5407-98-783 % similar
Cyclopentyl phenyl ketone5422-88-883 % similar
Cyclohexyl phenyl ketone712-50-580 % similar
(4-Chlorophenyl)cyclopropylmethanone6640-25-161 % similar
(4-Bromophenyl)cyclopropylmethanone6952-89-261 % similar
Cyclopropyl(4-fluorophenyl)methanone772-31-661 % similar
Phenylglyoxal1075-06-556 % similar
2,2-Dichloroacetophenone2648-61-556 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds