4-Oxocyclohexane-1-carbonitrile
Properties
- Molecular formula
- C7H9NO
- Molar mass
- 123.16 g/mol
- Exact mass
- 123.0684 Da
- logP
- 1.27Crippen estimate
- Polar surface area
- 40.9 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 0
Hazards
Warning
- H302 Harmful if swallowed100% of notifiers
- H312 Harmful in contact with skin66.7% of notifiers
- H315 Causes skin irritation66.7% of notifiers
- H319 Causes serious eye irritation66.7% of notifiers
- H332 Harmful if inhaled66.7% of notifiers
- H335 May cause respiratory irritation66.7% of notifiers
Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
34916-10-4SMILES
C1CC(=O)CCC1C#NInChIKey
QIWQJGMBIABGRX-UHFFFAOYSA-NInChI
InChI=1S/C7H9NO/c8-5-6-1-3-7(9)4-2-6/h6H,1-4H2Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- Cyclohexanecarbonitrile, 4-oxo-
Work with 4-Oxocyclohexane-1-carbonitrile
Similar compounds
3-Oxocyclobutane-1-carbonitrile20249-16-558 % similar
Cyclopropyl cyanide5500-21-052 % similar
Cyclopentanecarbonitrile4254-02-848 % similar
Cyclobutanecarbonitrile4426-11-348 % similar
Cyclohexanecarbonitrile766-05-246 % similar
4-Hydroxycyclohexanone13482-22-942 % similar
Tetrahydro-2H-pyran-4-carbonitrile4295-99-242 % similar
4-Cyanopiperidine4395-98-642 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.