The 6-Methoxy-3(2H)-isoquinolinone with the cas number 51463-14-0, is also called 3(2H)-isoquinolinone, 6-methoxy-. Its molecular formula is C10H9NO2. The product category of this chemical is ISOQUINOLINE. This chemical should be stored in dry and cool environment.
The properties of the chemical are: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 20.401; (4)ACD/KOC (pH 7.4): 20.395; (5)#H bond acceptors: 3; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 38.33 Å2; (9)Index of Refraction: 1.61; (10)Molar Refractivity: 48.725 cm3; (11)Molar Volume: 140.499 cm3; (12)Polarizability: 19.316×10-24cm3; (13)Surface Tension: 45.291 dyne/cm; (14)Enthalpy of Vaporization: 82.755 kJ/mol; (15)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: COc1ccc2c[nH]c(=O)cc2c1
(2)InChI: InChI=1/C10H9NO2/c1-13-9-3-2-7-6-11-10(12)5-8(7)4-9/h2-6H,1H3,(H,11,12)
|