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6H-Benzofuro[3,2-c][1]benzopyran-6-one,1,3,8,9-tetrahydroxy- (6468-55-9)

Identification
Name:6H-Benzofuro[3,2-c][1]benzopyran-6-one,1,3,8,9-tetrahydroxy-
Synonyms:1,3,8,9-Tetrahydroxycoumestan;Demethylwedelolactone;Desmethylwedelolactone;Norwedelolactone;
CAS:6468-55-9
Molecular Formula: C15H8O7
Molecular Weight: 300.221
InChI: InChI=1/C15H8O7/c16-5-1-9(19)13-11(2-5)22-15(20)12-6-3-7(17)8(18)4-10(6)21-14(12)13/h1-4,16-19H
Molecular Structure: (C15H8O7) 1,3,8,9-Tetrahydroxycoumestan;Demethylwedelolactone;Desmethylwedelolactone;Norwedelolactone;
Properties
Melting Point: 360ºC
Density:1.827 g/cm3
Refractive index:1.847
Specification:

The Demethylwedelolactone with the CAS number 6468-55-9 is also called 6H-Benzofuro[3,2-c][1]benzopyran-6-one,1,3,8,9-tetrahydroxy-. The IUPAC name is 1,3,8,9-tetrahydroxy-[1]benzofuro[3,2-c]chromen-6-one. Its molecular formula is C15H8O7.

The properties of the chemical are: (1)ACD/LogP: 1.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.79; (4)ACD/LogD (pH 7.4): 1.46; (5)ACD/BCF (pH 5.5): 13.39; (6)ACD/BCF (pH 7.4): 6.26; (7)ACD/KOC (pH 5.5): 222.09; (8)ACD/KOC (pH 7.4): 103.82; (9)#H bond acceptors: 7; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 76.36 Å2; (13)Index of Refraction: 1.847; (14)Molar Refractivity: 73.2 cm3; (15)Molar Volume: 164.2 cm3; (16)Polarizability: 29.01×10-24cm3; (17)Surface Tension: 109.2 dyne/cm; (18)Enthalpy of Vaporization: 83.72 kJ/mol; (19)Vapour Pressure: 6.6×10-12 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C3Oc4cc(O)cc(O)c4c2oc1c(cc(O)c(O)c1)c23
(2)InChI: InChI=1/C15H8O7/c16-5-1-9(19)13-11(2-5)22-15(20)12-6-3-7(17)8(18)4-10(6)21-14(12)13/h1-4,16-19H
(3)InChIKey: LUTYTNLPIUCKBJ-UHFFFAOYAD

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