The 3-Benzoyl-4-hydroxy-2H-chromen-2-one, with the CAS registry number 19492-11-6, is also known as 3-Benzoyl-2-hydroxy-4H-chromen-4-one. This chemical's molecular formula is C16H10O4 and molecular weight is 266.2482. What's more, its IUPAC name is 3-Benzoyl-2-hydroxychromen-4-one.
Physical properties about 3-Benzoyl-4-hydroxy-2H-chromen-2-one are: (1)ACD/LogP: 1.77; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 52.6 Å2; (7)Index of Refraction: 1.683; (8)Molar Refractivity: 70.99 cm3; (9)Molar Volume: 187 cm3; (10)Polarizability: 28.14×10-24 cm3; (11)Surface Tension: 66.5 dyne/cm; (12)Density: 1.423 g/cm3; (13)Flash Point: 146.1 °C; (14)Enthalpy of Vaporization: 67.59 kJ/mol; (15)Boiling Point: 391.2 °C at 760 mmHg; (16)Vapour Pressure: 8.02E-07 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C\1c3c(OC(/O)=C/1C(=O)c2ccccc2)cccc3
(2) InChI: InChI=1/C16H10O4/c17-14(10-6-2-1-3-7-10)13-15(18)11-8-4-5-9-12(11)20-16(13)19/h1-9,19H
(3) InChIKey: WUAZRHDVRURIBA-UHFFFAOYAD
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