3-(Benzyloxy)-2-methyl-4H-pyran-4-one (61049-69-2)

The 3-(Benzyloxy)-2-methyl-4H-pyran-4-one with the cas number 61049-69-2 is also called 4H-pyran-4-one, 2-methyl-3-(phenylmethoxy)-. Its molecular formula is C₁₃H₁₂O₃. The product category of this chemical is Pyrans, Piperidines & Piperazines. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 2.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.12; (4)ACD/LogD (pH 7.4): 2.12; (5)ACD/BCF (pH 5.5): 23.94; (6)ACD/BCF (pH 7.4): 23.94; (7)ACD/KOC (pH 5.5): 337.92; (8)ACD/KOC (pH 7.4): 337.92; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 35.53Ų; (13)Index of Refraction: 1.573; (14)Molar Refractivity: 60.08 cm³; (15)Molar Volume: 182.2 cm³; (16)Polarizability: 23.81×10^-24cm³; (17)Surface Tension: 43.5 dyne/cm; (18)Enthalpy of Vaporization: 66.33 kJ/mol; (19)Vapour Pressure: 5.82×10^-7 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C\2C(/OCc1ccccc1)=C(\O/C=C/2)C
(2)InChI: InChI=1/C13H12O3/c1-10-13(12(14)7-8-15-10)16-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3
(3)InChIKey: LQDVCPYRCOKNMV-UHFFFAOYAC