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CAS No.: | 38183-04-9 |
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Name: | 6,7-DIHYDROXYFLAVONE |
Molecular Structure: | |
Formula: | C15H10O4 |
Molecular Weight: | 254.242 |
Synonyms: | 6,7-Dihydroxyflavone; |
Density: | 1.443 g/cm3 |
Melting Point: | 251-254 °C |
Boiling Point: | 521.6 °C at 760 mmHg |
Flash Point: | 204.8 °C |
PSA: | 70.67000 |
LogP: | 2.87120 |
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The 4H-1-Benzopyran-4-one,6,7-dihydroxy-2-phenyl-, with the CAS registry number of 38183-04-9, is also known as 6,7-Dihydroxyflavone. It belongs to the product category of Di-substituted Flavones. Its molecular formula is C15H10O4 and molecular weight is 254.24. What's more, its IUPAC name is 6,7-Dihydroxy-2-phenylchromen-4-one. It can intensify effect of antibiotics on Staphylococcus aureus.
Physical properties about the 4H-1-Benzopyran-4-one,6,7-dihydroxy-2-phenyl- are: (1)ACD/LogP: 3.62; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.6; (4)ACD/LogD (pH 7.4): 2.97; (5)ACD/BCF (pH 5.5): 316.83; (6)ACD/BCF (pH 7.4): 73.78; (7)ACD/KOC (pH 5.5): 2120.26; (8)ACD/KOC (pH 7.4): 493.74; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 44.76 Å2; (13)Index of Refraction: 1.698; (14)Molar Refractivity: 67.97 cm3; (15)Molar Volume: 176.1 cm3; (16)Surface Tension: 68.2 dyne/cm; (17)Density: 1.443 g/cm3; (18)Flash Point: 204.8 °C; (19)Enthalpy of Vaporization: 82.48 kJ/mol; (20)Boiling Point: 521.6 °C at 760 mmHg; (21)Vapour Pressure: 1.69E-11 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C\1c3c(O/C(=C/1)c2ccccc2)cc(O)c(O)c3
(2) InChI: InChI=1/C15H10O4/c16-11-7-14(9-4-2-1-3-5-9)19-15-8-13(18)12(17)6-10(11)15/h1-8,17-18H
(3) InChIKey: GSAOUZGPXSGVRS-UHFFFAOYAA