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| CAS No.: | 18085-97-7 |
|---|---|
| Name: | 5,7-dihydroxy-2-(4-hydroxy-3-methoxy-phenyl)-6-methoxy-chromen-4-one |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C17H14O7 |
| Molecular Weight: | 330.294 |
| Synonyms: | Flavone,4',5,7-trihydroxy-3',6-dimethoxy- (7CI,8CI);3',6-Dimethoxy-4',5,7-trihydroxyflavone;4',5,7-Trihydroxy-3',6-dimethoxyflavone;4'-Demethyleupatilin;5,7,4'-Trihydroxy-6,3'-dimethoxyflavone;6-Hydroxyluteolin 6,3'-dimethyl ether;6-Methoxyluteolin 3'-methyl ether;Jaceosidin; |
| Density: | 1.483 g/cm3 |
| Melting Point: | 259-260 °C |
| Boiling Point: | 619 °C at 760 mmHg |
| Flash Point: | 232 °C |
| PSA: | 109.36000 |
| LogP: | 2.59400 |
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Specification
The 4',5,7-Trihydroxy-3',6-dimethoxyflavone with CAS registry number of 18085-97-7 is also known as 6-Methoxyluteolin-3'-methyl ether. The IUPAC name is 5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methoxychromen-4-one. In addition, the formula is C17H14O7 and the molecular weight is 330.29.
Physical properties about 4',5,7-Trihydroxy-3',6-dimethoxyflavone are: (1)ACD/LogP: 1.30; (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: 72.45Å2; (7)Index of Refraction: 1.67; (8)Molar Refractivity: 83.2 cm3; (9)Molar Volume: 222.5 cm3; (10)Polarizability: 32.98×10-24cm3; (11)Surface Tension: 67.7 dyne/cm; (12)Density: 1.483 g/cm3; (13)Flash Point: 232 °C; (14)Enthalpy of Vaporization: 95.12 kJ/mol; (15)Boiling Point: 619 °C at 760 mmHg; (16)Vapour Pressure: 6.48E-16 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
1. SMILES: O=C\1c3c(O)c(OC)c(O)cc3O/C(=C/1)c2ccc(O)c(OC)c2
2. InChI: InChI=1/C17H14O7/c1-22-13-5-8(3-4-9(13)18)12-6-10(19)15-14(24-12)7-11(20)17(23-2)16(15)21/h3-7,18,20-21H,1-2H3
3. InChIKey: GLAAQZFBFGEBPS-UHFFFAOYAK
4. Std. InChI: InChI=1S/C17H14O7/c1-22-13-5-8(3-4-9(13)18)12-6-10(19)15-14(24-12)7-11(20)17(23-2)16(15)21/h3-7,18,20-21H,1-2H3
5. Std. InChIKey: GLAAQZFBFGEBPS-UHFFFAOYSA-N