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Basic Information
CAS No.: 6468-93-5
Name: 5,7-DIHYDROXY-3-PHENYLCOUMARIN
Article Data: 6
Molecular Structure:
Molecular Structure of 6468-93-5 (5,7-DIHYDROXY-3-PHENYLCOUMARIN)
Formula: C15H10O4
Molecular Weight: 254.242
Synonyms: Coumarin,5,7-dihydroxy-3-phenyl- (6CI,7CI,8CI);5,7-Dihydroxy-3-phenylcoumarin;
Density: 1.443 g/cm3
Boiling Point: 562.3 °C at 760 mmHg
Flash Point: 221.4 °C
PSA: 70.67000
LogP: 2.87120
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Specification

The CAS register number of 2H-1-Benzopyran-2-one,5,7-dihydroxy-3-phenyl- is 6468-93-5. It also can be called as 5,7-Dihydroxy-3-phenylcoumarin and the systematic name about this chemical is 5,7-dihydroxy-3-phenyl-2H-chromen-2-one. The molecular formula about this chemical is C15H10O4 and the molecular weight is 254.2375.

Physical properties about 2H-1-Benzopyran-2-one,5,7-dihydroxy-3-phenyl- are: (1)ACD/LogP: 4.19; (2)ACD/LogD (pH 5.5): 4.17; (3)ACD/LogD (pH 7.4): 3.6; (4)ACD/BCF (pH 5.5): 863.9; (5)ACD/BCF (pH 7.4): 233.68; (6)ACD/KOC (pH 5.5): 4359.51; (7)ACD/KOC (pH 7.4): 1179.23; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 66.76 Å2; (12)Index of Refraction: 1.698; (13)Molar Refractivity: 67.97 cm3; (14)Molar Volume: 176.1 cm3; (15)Polarizability: 26.94x10-24cm3; (16)Surface Tension: 68.2 dyne/cm; (17)Density: 1.443 g/cm3; (18)Flash Point: 221.4 °C; (19)Enthalpy of Vaporization: 87.68 kJ/mol; (20)Boiling Point: 562.3 °C at 760 mmHg; (21)Vapour Pressure: 3.01E-13 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: Oc2cc(O)cc1OC(=O)/C(=C\c12)c3ccccc3
(2)InChI: InChI=1/C15H10O4/c16-10-6-13(17)12-8-11(9-4-2-1-3-5-9)15(18)19-14(12)7-10/h1-8,16-17H
(3)InChIKey: ZTLFUVNERQMWAR-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C15H10O4/c16-10-6-13(17)12-8-11(9-4-2-1-3-5-9)15(18)19-14(12)7-10/h1-8,16-17H
(5)Std. InChIKey: ZTLFUVNERQMWAR-UHFFFAOYSA-N