2H-Inden-2-one,1,3-dihydro-5-methoxy- (76413-89-3)

The 5-Methoxy-1,3-dihydro-2H-inden-2-one is a chemical compound with formula C10H10O2. Its cas registry number is 76413-89-3. Besides, it also has a systematic name which is called 5-methoxy-1,3-dihydro-2H-inden-2-one.

The physical properties about this chemical are: (1)ACD/LogP: 1.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 4; (6)ACD/BCF (pH 7.4): 4; (7)ACD/KOC (pH 5.5): 100; (8)ACD/KOC (pH 7.4): 100; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1 ; (12)Index of Refraction: 1.564; (13)Molar Refractivity: 45.236 cm³; (14)Molar Volume: 139.024 cm³; (15)Surface Tension: 43.144 dyne/cm; (16)Density: 1.167 g/cm³; (17)Flash Point: 142.856 °C; (18)Enthalpy of Vaporization: 53.947 kJ/mol; (19)Boiling Point: 299.473 °C at 760 mmHg; (20)Vapour Pressure: 0.001 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: COc1ccc2CC(=O)Cc2c1;
(2)InChI: InChI=1/C10H10O2/c1-12-10-3-2-7-4-9(11)5-8(7)6-10/h2-3,6H,4-5H2,1H3;
(3)InChIKey: CEYJHHLKVOTTOC-UHFFFAOYAY