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4H-1-Benzopyran-4-one,2-(3,4-dimethoxyphenyl)-5,6,7-trimethoxy- (2306-27-6)

Identification
Name:4H-1-Benzopyran-4-one,2-(3,4-dimethoxyphenyl)-5,6,7-trimethoxy-
Synonyms:Flavone,3',4',5,6,7-pentamethoxy- (8CI);Sinensetin (7CI);3',4',5,6,7-Pentamethoxyflavone;5,6,7,3',4'-Pentamethoxyflavone;Pedalitinpermethyl ether;Sinensetin;
CAS:2306-27-6
Molecular Formula: C20H20O7
Molecular Weight: 372.3686
InChI: InChI=1S/C20H20O7/c1-22-13-7-6-11(8-15(13)23-2)14-9-12(21)18-16(27-14)10-17(24-3)19(25-4)20(18)26-5/h6-10H,1-5H3
Molecular Structure: (C20H20O7) Flavone,3',4',5,6,7-pentamethoxy- (8CI);Sinensetin (7CI);3',4',5,6,7-Pentamethoxyflavone;5,6,7,3',4'...
Properties
Density:1.244 g/cm3
Refractive index:1.565
Water Solubility:Partly soluble in water
Solubility:Partly soluble in water
Appearance:pale creamy yellow powder
Specification:

The cas register number of Sinensetin is 2306-27-6. It also can be called as 4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-5,6,7-trimethoxy- and the Systematic name about this chemical is 2-(3,4-dimethoxyphenyl)-5,6,7-trimethoxychromen-4-one.

Physical properties about Sinensetin are: (1)ACD/LogP: 3.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.08; (4)ACD/LogD (pH 7.4): 3.08; (5)ACD/BCF (pH 5.5): 129.93; (6)ACD/BCF (pH 7.4): 129.93; (7)ACD/KOC (pH 5.5): 1133.97; (8)ACD/KOC (pH 7.4): 1133.97; (9)#H bond acceptors: 7; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 72.45Å2; (13)Index of Refraction: 1.565; (14)Molar Refractivity: 97.59 cm3; (15)Molar Volume: 299.2 cm3; (16)Surface Tension: 43.5 dyne/cm; (17)Density: 1.244 g/cm3; (18)Flash Point: 240.6 °C; (19)Enthalpy of Vaporization: 82.72 kJ/mol; (20)Boiling Point: 547.8 °C at 760 mmHg; (21)Vapour Pressure: 4.73E-12 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
People do not breathe dust and avoid contact with skin and eyes.

People can use the following data to convert to the molecule structure.
1.SMILES: O=C\1c3c(OC)c(OC)c(OC)cc3O/C(=C/1)c2ccc(OC)c(OC)c2
2.InChI: InChI=1/C20H20O7/c1-22-13-7-6-11(8-15(13)23-2)14-9-12(21)18-16(27-14)10-17(24-3)19(25-4)20(18)26-5/h6-10H,1-5H3
3.InChIKey: LKMNXYDUQXAUCZ-UHFFFAOYAJ
4.Std. InChI: InChI=1S/C20H20O7/c1-22-13-7-6-11(8-15(13)23-2)14-9-12(21)18-16(27-14)10-17(24-3)19(25-4)20(18)26-5/h6-10H,1-5H3

Usage:Sinensetin, eupatorin, 3'-hydroxy-5,6,7,4'-tetramethoxyflavone and rosmarinic acid contents and antioxidative effect of Orthosiphon stamineus from Malaysia.
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