Benzeneacetonitrile,3-cyano- (16532-78-8)

The 3-Cyanophenylacetonitrile with the CAS number 16532-78-8 is also called Benzeneacetonitrile,3-cyano-. Its molecular formula is C₉H₆N₂. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the 3-Cyanophenylacetonitrile are: (1)ACD/LogP: 0.89; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.89; (4)ACD/LogD (pH 7.4): 0.89; (5)ACD/BCF (pH 5.5): 2.77; (6)ACD/BCF (pH 7.4): 2.77; (7)ACD/KOC (pH 5.5): 72.24; (8)ACD/KOC (pH 7.4): 72.24; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 47.58 Å²; (13)Index of Refraction: 1.553; (14)Molar Refractivity: 40.51 cm³; (15)Molar Volume: 126.6 cm³; (16)Polarizability: 16.06×10^-24cm³; (17)Surface Tension: 52.4 dyne/cm; (18)Enthalpy of Vaporization: 54.14 kJ/mol; (19)Vapour Pressure: 0.00107 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#CCc1cccc(C#N)c1
(2)InChI: InChI=1/C9H6N2/c10-5-4-8-2-1-3-9(6-8)7-11/h1-3,6H,4H2
(3)InChIKey: OQKZSMMMKYJQJP-UHFFFAOYAV