5-Nitro-2-norbornene (768-16-1)

The cas register number of 5-Nitro-2-norbornene is 768-16-1. It also can be called as 5-Nitrobicyclo[2.2.1]hept-2-ene and the Systematic name about this chemical is (pentamethylphenyl)methanol.

Physical properties about 5-Nitro-2-norbornene are: (1)ACD/LogP: 3.34; (2)ACD/LogD (pH 5.5): 3.33; (3)ACD/LogD (pH 7.4): 3.33; (4)ACD/BCF (pH 5.5): 201.64; (5)ACD/BCF (pH 7.4): 201.64; (6)ACD/KOC (pH 5.5): 1553.18; (7)ACD/KOC (pH 7.4): 1553.18; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 9.23Ų; (12)Index of Refraction: 1.527; (13)Molar Refractivity: 56.82 cm³; (14)Molar Volume: 184.6 cm³; (15)Polarizability: 22.52x10^-24cm³; (16)Surface Tension: 34.9 dyne/cm; (17)Enthalpy of Vaporization: 52.14 kJ/mol; (18)Vapour Pressure: 0.00816 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OCc1c(c(c(c(c1C)C)C)C)C
(2)InChI: InChI=1/C12H18O/c1-7-8(2)10(4)12(6-13)11(5)9(7)3/h13H,6H2,1-5H3
(3)InChIKey: CMBCAWNOBIGGTE-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C12H18O/c1-7-8(2)10(4)12(6-13)11(5)9(7)3/h13H,6H2,1-5H3
(5)Std. InChIKey: CMBCAWNOBIGGTE-UHFFFAOYSA-N