4H-1-Benzopyran-4-one,2-(3,4-dihydroxyphenyl)-5-hydroxy- supplier

Name
5,3',4'-TRIHYDROXYFLAVONE
EINECS
CAS No. 19852-25-6
Article Data4
CAS DataBase
Density 1.548 g/cm³
Solubility
Melting Point
Formula C₁₅H₁₀O₅
Boiling Point 544.4 °C at 760 mmHg
Molecular Weight 270.241
Flash Point 212.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Flavone,3',4',5-trihydroxy- (8CI);3',4',5-Trihydroxyflavone;5,3',4'-Trihydroxyflavone;
PSA 90.90000
LogP 2.57680

4H-1-Benzopyran-4-one,2-(3,4-dihydroxyphenyl)-5-hydroxy- Specification

The CAS register number of 4H-1-Benzopyran-4-one,2-(3,4-dihydroxyphenyl)-5-hydroxy- is 19852-25-6. It also can be called as 5,3',4'-Trihydroxyflavone and the systematic name about this chemical is 2-(3,4-dihydroxyphenyl)-5-hydroxy-4H-chromen-4-one. The molecular formula about this chemical is C₁₅H₁₀O₅ and the molecular weight is 270.24. It belongs to the Tri-substituted Flavones.

Physical properties about 4H-1-Benzopyran-4-one,2-(3,4-dihydroxyphenyl)-5-hydroxy- are: (1)ACD/LogP: 2.62; (2)ACD/LogD (pH 5.5): 2.6; (3)ACD/LogD (pH 7.4): 1.87; (4)ACD/BCF (pH 5.5): 54.67; (5)ACD/BCF (pH 7.4): 10.28; (6)ACD/KOC (pH 5.5): 600.48; (7)ACD/KOC (pH 7.4): 112.9; (8)#H bond acceptors: 5; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 53.99Å²; (12)Index of Refraction: 1.732; (13)Molar Refractivity: 69.85 cm³; (14)Molar Volume: 174.5 cm³; (15)Polarizability: 27.69x10^-24cm³; (16)Surface Tension: 79.5 dyne/cm; (17)Flash Point: 212.6 °C; (18)Enthalpy of Vaporization: 85.38 kJ/mol; (19)Boiling Point: 544.4 °C at 760 mmHg; (20)Vapour Pressure: 1.83E-12 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C\1c3c(O/C(=C/1)c2ccc(O)c(O)c2)cccc3O
(2)InChI: InChI=1/C15H10O5/c16-9-5-4-8(6-11(9)18)14-7-12(19)15-10(17)2-1-3-13(15)20-14/h1-7,16-18H
(3)InChIKey: KXPQYWKYYDYOCQ-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C15H10O5/c16-9-5-4-8(6-11(9)18)14-7-12(19)15-10(17)2-1-3-13(15)20-14/h1-7,16-18H
(5)Std. InChIKey: KXPQYWKYYDYOCQ-UHFFFAOYSA-N

Product Name

5,3',4'-TRIHYDROXYFLAVONE

4H-1-Benzopyran-4-one,2-(3,4-dihydroxyphenyl)-5-hydroxy- Specification

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