Cyclobutanone
Properties
- Molecular formula
- C4H6O
- Molar mass
- 70.09 g/mol
- Exact mass
- 70.0419 Da
- Density
- 0.9322 g/mL (at 20 °C)
- Melting point
- −50.9 °C
- Boiling point
- 99 °C
- logP
- 0.74Crippen estimate
- Polar surface area
- 17.1 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 0
Hazards
Danger
- H225 Highly Flammable liquid and vapor23.2% of notifiers
- H226 Flammable liquid and vapor76.8% of notifiers
Aggregated from 56 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501
Identifiers
CAS number
1191-95-3SMILES
O=C1CCC1InChIKey
SHQSVMDWKBRBGB-UHFFFAOYSA-NInChI
InChI=1S/C4H6O/c5-4-2-1-3-4/h1-3H2Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
1 names
- NSC 87632
Reactions
Work with Cyclobutanone
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
Cyclopentanone120-92-383 % similar
Cyclohexanone108-94-177 % similar
Cyclodecanone1502-06-377 % similar
Cycloheptanone502-42-177 % similar
Cyclooctanone502-49-877 % similar
Cyclopentadecanone502-72-777 % similar
Cyclododecanone830-13-777 % similar
1,3-Cyclohexanedione504-02-971 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds