3-Cyclopropyl-3-oxopropanenitrile
Properties
- Molecular formula
- C6H7NO
- Molar mass
- 109.13 g/mol
- Exact mass
- 109.0528 Da
- logP
- 0.88Crippen estimate
- Polar surface area
- 40.9 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 2
Hazards
Danger
- H227 Combustible liquid100% of notifiers
- H301 Toxic if swallowed100% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, P501
Identifiers
CAS number
118431-88-2SMILES
C1CC1C(=O)CC#NInChIKey
SDARMQNRQJBGQE-UHFFFAOYSA-NInChI
InChI=1S/C6H7NO/c7-4-3-6(8)5-1-2-5/h5H,1-3H2Weigh it out
Type any one amount. The others follow from the molar mass.
Work with 3-Cyclopropyl-3-oxopropanenitrile
Similar compounds
β-Oxocyclopentanepropanenitrile95882-33-083 % similar
2-Oxocyclohexanepropanenitrile4594-78-948 % similar
2-Bromo-1-cyclopropylethan-1-one69267-75-042 % similar
Cyanoacetic acid372-09-841 % similar
Pivaloylacetonitrile59997-51-238 % similar
1-Methylethyl 2-cyanoacetate13361-30-338 % similar
Methyl cyanoacetate105-34-037 % similar
Sodium cyanoacetate1071-36-937 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.