Methanone,(3,4-dihydroxyphenyl)(2,4,6-trihydroxyphenyl)- (519-34-6)

The 2,3',4,4',6-Pentahydroxybenzophenone, with CAS registry number 519-34-6, belongs to the following product categories: Colours, Dyes, Indicators & Pigments. Its systematic name and its IUPAC name are the same, which is (3,4-dihydroxyphenyl)(2,4,6-trihydroxyphenyl)methanone. What's more, its EINECS is 208-268-2.

Physical properties of 2,3',4,4',6-Pentahydroxybenzophenone: (1)ACD/LogP: 2.88; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 2.84; (4)ACD/LogD (pH 7.4): 1.79; (5)ACD/BCF (pH 5.5): 83.89; (6)ACD/BCF (pH 7.4): 7.34; (7)ACD/KOC (pH 5.5): 811.14; (8)ACD/KOC (pH 7.4): 70.96; (9)#H bond acceptors: 6; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 63.22 Å²; (13)Index of Refraction: 1.756; (14)Molar Refractivity: 65.45 cm³; (15)Molar Volume: 159.6 cm³; (16)Polarizability: 25.94×10^-24cm³; (17)Surface Tension: 97.6 dyne/cm; (18)Enthalpy of Vaporization: 86.24 kJ/mol; (19)Vapour Pressure: 9.38E-13 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1cc(O)c(O)cc1)c2c(O)cc(O)cc2O
(2)InChI: InChI=1/C13H10O6/c14-7-4-10(17)12(11(18)5-7)13(19)6-1-2-8(15)9(16)3-6/h1-5,14-18H
(3)InChIKey: XNWPXDGRBWJIES-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C13H10O6/c14-7-4-10(17)12(11(18)5-7)13(19)6-1-2-8(15)9(16)3-6/h1-5,14-18H
(5)Std. InChIKey: XNWPXDGRBWJIES-UHFFFAOYSA-N