CAS No.18085-97-7,5,7-dihydroxy-2-(4-hydroxy-3-methoxy-phenyl)-6-methoxy-chromen-4-one Suppliers

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Basic Information

Molecular Structure:
CAS No.:	18085-97-7
Name:	5,7-dihydroxy-2-(4-hydroxy-3-methoxy-phenyl)-6-methoxy-chromen-4-one
Article Data:	3

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