3-Methoxyquinoline (6931-17-5)

The 3-Methoxyquinoline, with CAS registry number 6931-17-5, has the systematic name of 3-methoxyquinoline. And its IUPAC name is the same one. Besides this, it is also called Quinoline, 3-methoxy-.

Physical properties about this chemical are: (1)ACD/LogP: 2.00; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.99; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 19.02; (6)ACD/BCF (pH 7.4): 19.47; (7)ACD/KOC (pH 5.5): 284.63; (8)ACD/KOC (pH 7.4): 291.4; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 22.12 Å²; (13)Index of Refraction: 1.61; (14)Molar Refractivity: 48.86 cm³; (15)Molar Volume: 140.7 cm³; (16)Polarizability: 19.37×10^-24cm³; (17)Surface Tension: 43.6 dyne/cm; (18)Enthalpy of Vaporization: 49.8 kJ/mol; (19)Vapour Pressure: 0.00656 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES: O(c1cc2ccccc2nc1)C
(2)InChI: InChI=1/C10H9NO/c1-12-9-6-8-4-2-3-5-10(8)11-7-9/h2-7H,1H3
(3)InChIKey: AQCRFDKOKZGTDE-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C10H9NO/c1-12-9-6-8-4-2-3-5-10(8)11-7-9/h2-7H,1H3
(5)Std. InChIKey: AQCRFDKOKZGTDE-UHFFFAOYSA-N