The Prudomestin, with the CAS registry number 3443-28-5, is also known as 3,5,7-Trihydroxy-4',8-dimethoxyflavone. This chemical's molecular formula is C17H14O7 and molecular weight is 330.2889. Its systematic name is called 3,5,7-trihydroxy-8-methoxy-2-(4-methoxyphenyl)-4H-chromen-4-one.
Physical properties of Prudomestin: (1)ACD/LogP: 2.61; (2)ACD/LogD (pH 5.5): 2; (3)ACD/LogD (pH 7.4): 1; (4)ACD/BCF (pH 5.5): 18; (5)ACD/BCF (pH 7.4): 2; (6)ACD/KOC (pH 5.5): 269; (7)ACD/KOC (pH 7.4): 27; (8)#H bond acceptors: 7; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 6; (11)Index of Refraction: 1.681; (12)Molar Refractivity: 82.914 cm3; (13)Molar Volume: 219.117 cm3; (14)Surface Tension: 71.294 dyne/cm; (15)Density: 1.507 g/cm3; (16)Flash Point: 212.199 °C; (17)Enthalpy of Vaporization: 88.532 kJ/mol; (18)Boiling Point: 568.855 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C1c3c(O/C(=C1/O)c2ccc(OC)cc2)c(OC)c(O)cc3O
(2)InChI: InChI=1/C17H14O7/c1-22-9-5-3-8(4-6-9)15-14(21)13(20)12-10(18)7-11(19)16(23-2)17(12)24-15/h3-7,18-19,21H,1-2H3
(3)InChIKey: HLSIOUXODPWHFI-UHFFFAOYAC
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