3(2H)-Cinnolinone (31777-46-5)

The cas register number of 2H-Cinnolin-3-one is 31777-46-5. It also can be called as 3(2H)-Cinnolinone and the IUPAC Name about this chemical is 2H-cinnolin-3-one.

Physical properties about 2H-Cinnolin-3-one are: (1)ACD/LogP: 0.68; (2)ACD/LogD (pH 5.5): -0.78; (3)ACD/LogD (pH 7.4): -0.85; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 3.19; (7)ACD/KOC (pH 7.4): 2.75; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)Polar Surface Area: 32.67Ų; (11)Index of Refraction: 1.666; (12)Molar Refractivity: 41.27 cm³; (13)Molar Volume: 110.8 cm³; (14)Polarizability: 16.36x10^-24cm³; (15)Surface Tension: 52.7 dyne/cm; (16)Enthalpy of Vaporization: 45.97 kJ/mol; (17)Boiling Point: 205.4 °C at 760 mmHg; (18)Vapour Pressure: 0.175 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1/C=C2\C(=N/N1)\C=C/C=C2
(2)InChI: InChI=1/C8H6N2O/c11-8-5-6-3-1-2-4-7(6)9-10-8/h1-5H,(H,10,11)
(3)InChIKey: CXUGAWWYKSOLEL-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C8H6N2O/c11-8-5-6-3-1-2-4-7(6)9-10-8/h1-5H,(H,10,11)
(5)Std. InChIKey: CXUGAWWYKSOLEL-UHFFFAOYSA-N