5H-Dibenzo[a,d]cycloheptene-5-carbonitrile, 10,11-dihydro- (1729-63-1)

The 10,11-Dihydro-5H-dibenzo[a,d]cycloheptene-5-carbonitrile is an organic compound with the formula C₁₆H₁₃N. The systematic name of this chemical is 10,11-dihydro-5H-dibenzo[a,d][7]annulene-5-carbonitrile. With the CAS registry number 1729-63-1, it is also named as 5H-dibenzo[a,d]cycloheptene-5-carbonitrile, 10,11-dihydro-.

Physical properties about 10,11-Dihydro-5H-dibenzo[a,d]cycloheptene-5-carbonitrile are: (1)ACD/LogP: 3.09; (2)ACD/LogD (pH 5.5): 3; (3)ACD/LogD (pH 7.4): 3; (4)ACD/BCF (pH 5.5): 130; (5)ACD/BCF (pH 7.4): 130; (6)ACD/KOC (pH 5.5): 1137; (7)ACD/KOC (pH 7.4): 1137; (8)#H bond acceptors: 1; (9)Polar Surface Area: 23.79 Ä²; (10)Index of Refraction: 1.63; (11)Molar Refractivity: 67.848 cm³; (12)Molar Volume: 190.73 cm³; (13)Polarizability: 26.897×10^-24cm³; (14)Surface Tension: 51.919 dyne/cm; (15)Density: 1.15 g/cm³; (16)Flash Point: 142.705 °C; (17)Enthalpy of Vaporization: 62.631 kJ/mol; (18)Boiling Point: 378.416 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: c1ccc2c(c1)CCc3ccccc3C2C#N
(2)InChI: InChI=1/C16H13N/c17-11-16-14-7-3-1-5-12(14)9-10-13-6-2-4-8-15(13)16/h1-8,16H,9-10H2
(3)InChIKey: FTGVWSKYBMZSOE-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C16H13N/c17-11-16-14-7-3-1-5-12(14)9-10-13-6-2-4-8-15(13)16/h1-8,16H,9-10H2
(5)Std. InChIKey: FTGVWSKYBMZSOE-UHFFFAOYSA-N