3-Cinnolinecarboxaldehyde (51073-57-5)

The 3-Cinnolinecarboxaldehyde, with the CAS registry number 51073-57-5, belongs to the product category of Cinnoline Derivertives. This chemical's molecular formula is C₉H₆N₂O and molecular weight is 158.16. Its systematic name is called cinnoline-3-carbaldehyde.

Physical properties of 3-Cinnolinecarboxaldehyde: (1)ACD/LogP: 0.88; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 37; (5)ACD/KOC (pH 7.4): 37; (6)#H bond acceptors: 3; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 42.85 Å²; (9)Index of Refraction: 1.7; (10)Molar Refractivity: 47.031 cm³; (11)Molar Volume: 121.663 cm³; (12)Surface Tension: 64.258 dyne/cm; (13)Density: 1.3 g/cm³; (14)Flash Point: 85.67 °C; (15)Enthalpy of Vaporization: 45.111 kJ/mol; (16)Boiling Point: 214.779 °C at 760 mmHg; (17)Vapour Pressure: 0.153 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc1cc2ccccc2nn1
(2)InChI: InChI=1/C9H6N2O/c12-6-8-5-7-3-1-2-4-9(7)11-10-8/h1-6H
(3)InChIKey: IVZANHPQJIQFAX-UHFFFAOYAJ