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Name |
4H-1-Benzopyran-4-one,2-(3,4-dihydroxyphenyl)-5-hydroxy- |
EINECS | N/A |
CAS No. | 19852-25-6 | Density | 1.548 g/cm3 |
PSA | 90.90000 | LogP | 2.57680 |
Solubility | N/A | Melting Point |
N/A |
Formula | C15H10O5 | Boiling Point | 544.4 °C at 760 mmHg |
Molecular Weight | 270.241 | Flash Point | 212.6 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Flavone,3',4',5-trihydroxy- (8CI);3',4',5-Trihydroxyflavone;5,3',4'-Trihydroxyflavone; |
Article Data | 4 |
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