5,7-DIHYDROXYISOFLAVONE

The CAS register number of 4H-1-Benzopyran-4-one,5,7-dihydroxy-3-phenyl- is 4044-00-2. It also can be called as Isoflavone, 5,7-dihydroxy- and the systematic name about this chemical is 5,7-dihydroxy-3-phenyl-4H-chromen-4-one. The molecular formula about this chemical is C₁₅H₁₀O₄ and the molecular weight is 254.24. It belongs to the Iso-Flavones.

Physical properties about 4H-1-Benzopyran-4-one,5,7-dihydroxy-3-phenyl- are: (1)ACD/LogP: 3.19; (2)#H bond acceptors: 4; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 3; (5)Polar Surface Area: 44.76Ų; (6)Index of Refraction: 1.698; (7)Molar Refractivity: 67.97 cm³; (8)Molar Volume: 176.1 cm³; (9)Polarizability: 26.94x10^-24cm³; (10)Surface Tension: 68.2 dyne/cm; (11)Flash Point: 192.5 °C; (12)Enthalpy of Vaporization: 78.76 kJ/mol; (13)Boiling Point: 491.9 °C at 760 mmHg; (14)Vapour Pressure: 2.67E-10 mmHg at 25°C.

Uses of 4H-1-Benzopyran-4-one,5,7-dihydroxy-3-phenyl-: it can be used to produce 5,7-dihydroxy-3-phenyl-chroman-4-one. This reaction will need reagent ammonium formate, catalyst Pd/C and solvent methanol with reaction time of 4 hours. This reaction also need other reagents like formic acid, sodium formate and triethylamine. The yield is about 61%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C\1c3c(O/C=C/1c2ccccc2)cc(O)cc3O
(2)InChI: InChI=1/C15H10O4/c16-10-6-12(17)14-13(7-10)19-8-11(15(14)18)9-4-2-1-3-5-9/h1-8,16-17H
(3)InChIKey: PJJGZPJJTHBVMX-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C15H10O4/c16-10-6-12(17)14-13(7-10)19-8-11(15(14)18)9-4-2-1-3-5-9/h1-8,16-17H
(5)Std. InChIKey: PJJGZPJJTHBVMX-UHFFFAOYSA-N