2H-Inden-2-one,1,3-dihydro-4-methoxy- (124067-30-7)

The 4-Methoxy-2-Indanone is a kind of organic compounds with cas registry number of 124067-30-7. It has a systematic name which is called 4-methoxyindan-2-one. The following is some basic properties about this compound.

The physical properties about this chemical are: (1)ACD/LogP: 2.51; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.512; (4)ACD/LogD (pH 7.4): 2.512; (5)ACD/BCF (pH 5.5): 47.797; (6)ACD/BCF (pH 7.4): 47.797; (7)ACD/KOC (pH 5.5): 554.283; (8)ACD/KOC (pH 7.4): 554.283; (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: 150.931 °C; (18)Enthalpy of Vaporization: 55.185 kJ/mol; (19)Boiling Point: 310.97 °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: COc1cccc2c1CC(=O)C2;
(2)InChI: InChI=1/C10H10O2/c1-12-10-4-2-3-7-5-8(11)6-9(7)10/h2-4H,5-6H2,1H3;
(3)InChIKey: JBDVYNOISPHDQI-UHFFFAOYAH