8-Isoquinolinecarboxylicacid (61563-43-7)

The Isoquinoline-8-carboxylic acid with the CAS number 61563-43-7 is also called 8-Isoquinolinecarboxylicacid. Its molecular formula is C₁₀H₇NO₂. This chemical belongs to the following product categories: (1)Isoquinoline Derivertives; (2)Building Blocks; (3)Isoquinoline.

The properties of the Isoquinoline-8-carboxylic acid are: (1)ACD/LogP: 1.63; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 50.19 Å²; (11)Index of Refraction: 1.684; (12)Molar Refractivity: 49.11 cm³; (13)Molar Volume: 129.3 cm³; (14)Polarizability: 19.47×10^-24cm³; (15)Surface Tension: 65.1 dyne/cm; (16)Enthalpy of Vaporization: 69.3 kJ/mol; (17)Vapour Pressure: 2.64×10^-7 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)c1cccc2ccncc12
(2)InChI: InChI=1/C10H7NO2/c12-10(13)8-3-1-2-7-4-5-11-6-9(7)8/h1-6H,(H,12,13)
(3)InChIKey: VMNZQPRIUSJCOH-UHFFFAOYAI