The CAS register number of 2-Oxocyclohexanepropiononitrile is 4594-78-9. It also can be called as Cyclohexanepropanenitrile, 2-oxo- and the IUPAC name about this chemical is 3-(2-oxocyclohexyl)propanenitrile. The molecular formula about this chemical is C₉H₁₃NO and the molecular weight is 151.21. It belongs to the Ring Systems. This chemical is harmful by inhalation, in contact with skin and if swallowed. When you are using it, wear suitable protective clothing.

Physical properties about 2-Oxocyclohexanepropiononitrile are: (1)ACD/LogP: 0.35; (2)ACD/LogD (pH 5.5): 0.35; (3)ACD/LogD (pH 7.4): 0.35; (4)ACD/BCF (pH 5.5): 1.09; (5)ACD/BCF (pH 7.4): 1.09; (6)ACD/KOC (pH 5.5): 36.92; (7)ACD/KOC (pH 7.4): 36.92; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 40.86Ų; (11)Index of Refraction: 1.466; (12)Molar Refractivity: 41.67 cm³; (13)Molar Volume: 150.4 cm³; (14)Polarizability: 16.52x10^-24cm³; (15)Surface Tension: 37.9 dyne/cm; (16)Enthalpy of Vaporization: 51.48 kJ/mol; (17)Boiling Point: 276.3 °C at 760 mmHg; (18)Vapour Pressure: 0.00485 mmHg at 25°C.

Preparation: this chemical can be prepared by cyclohexanone and acrylonitrile. This reaction will need reagent aq. KOH.

Uses of 2-Oxocyclohexanepropiononitrile: it can be used to produce 3,4,5,6,7,8-hexahydro-1H-quinolin-2-one. This reaction will need reagent methanol, KOH-solution and tert-butyl alcohol.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1CCCCC1CCC#N
(2)InChI: InChI=1/C9H13NO/c10-7-3-5-8-4-1-2-6-9(8)11/h8H,1-6H2
(3)InChIKey: SPTVCXKSSRBTMN-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C9H13NO/c10-7-3-5-8-4-1-2-6-9(8)11/h8H,1-6H2
(5)Std. InChIKey: SPTVCXKSSRBTMN-UHFFFAOYSA-N