4H-1-Benzopyran-4-one,5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-methoxy- supplier

Name
3,4'-DIMETHOXY-3',5,7-TRIHYDROXYFLAVONE
EINECS
CAS No. 33429-83-3
Article Data3
CAS DataBase
Density 1.55 g/cm³
Solubility
Melting Point 229-230 °C
Formula C₁₇H₁₄O₇
Boiling Point 607 °C at 760 mmHg
Molecular Weight 330.294
Flash Point 227.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Flavone,3',5,7-trihydroxy-3,4'-dimethoxy- (8CI);3,4'-Dimethoxy-3',5,7-trihydroxyflavone;3,4'-Dimethylquercetin;5,7,3'-Trihydroxy-3,4'-dimethoxyflavone;NSC 106970;Quercetin 3,4'-dimethyl ether;5,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-methoxychromen-4-one;3',5,7-Trihydroxy-3',4'-dimethoxyflavone;Flavone, 3',5,7-trihydroxy-3,4'-dimethoxy-;
PSA
LogP

4H-1-Benzopyran-4-one,5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-methoxy- Specification

The 4H-1-Benzopyran-4-one,5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-methoxy-, with the CAS registry number 33429-83-3, is also known as 3',5,7-Trihydroxy-3',4'-dimethoxyflavone. It belongs to the product category of Penta-substituted Flavones. This chemical's molecular formula is C₁₇H₁₄O₇ and molecular weight is 330.29. What's more, its IUPAC name is 5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-methoxychromen-4-one.

Physical properties of 4H-1-Benzopyran-4-one,5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-methoxy- are: (1)ACD/LogP: 1.85; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 7; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 6; (6)Polar Surface Area: 72.45 Å²; (7)Index of Refraction: 1.7; (8)Molar Refractivity: 81.93 cm³; (9)Molar Volume: 211.8 cm³; (10)Polarizability: 32.48×10^-24cm³; (11)Surface Tension: 81.5 dyne/cm; (12)Density: 1.55 g/cm³; (13)Flash Point: 227.3 °C; (14)Enthalpy of Vaporization: 93.53 kJ/mol; (15)Boiling Point: 607 °C at 760 mmHg; (16)Vapour Pressure: 2.5E-15 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC)O
(2)InChI: InChI=1S/C17H14O7/c1-22-12-4-3-8(5-10(12)19)16-17(23-2)15(21)14-11(20)6-9(18)7-13(14)24-16/h3-7,18-20H,1-2H3
(3)InChIKey: ZSPZNFOLWQEVQJ-UHFFFAOYSA-N

Product Name

3,4'-DIMETHOXY-3',5,7-TRIHYDROXYFLAVONE

4H-1-Benzopyran-4-one,5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-methoxy- Specification

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