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| CAS No.: | 19202-36-9 |
|---|---|
| Name: | HINOKIFLAVONE |
| Molecular Structure: | |
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| Formula: | C30H18O10 |
| Molecular Weight: | 538.467 |
| Synonyms: | Flavone,4',5,5'',7,7''-pentahydroxy-4''',6-oxydi- (8CI);Hinokiflavone (6CI); |
| EINECS: | 242-877-4 |
| Density: | 622 g/cm3 |
| Melting Point: | 353-355 °C |
| Boiling Point: | 841.5 °C at 760 mmHg |
| Flash Point: | 284.8 °C |
| PSA: | 170.80000 |
| LogP: | 5.55370 |
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Specification
The Hinoki flavone, with the CAS registry number 19202-36-9, is also known as 4',6"-O-Biapigenin. It belongs to the product category of Flavones. Its EINECS registry number is 242-877-4. This chemical's molecular formula is C30H18O10 and molecular weight is 538.45792. Its IUPAC name is called 6-[4-(5,7-dihydroxy-4-oxochromen-2-yl)phenoxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one.
Physical properties of Hinoki flavone: (1)ACD/LogP: 4.33; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): 3.98; (4)ACD/LogD (pH 7.4): 0.85; (5)ACD/BCF (pH 5.5): 516.8; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2423.34; (8)ACD/KOC (pH 7.4): 1.77; (9)#H bond acceptors: 10; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 9; (12)Index of Refraction: 1.77; (13)Molar Refractivity: 138.01 cm3; (14)Molar Volume: 331.8 cm3; (15)Surface Tension: 87.3 dyne/cm; (16)Density: 1.622 g/cm3; (17)Flash Point: 284.8 °C; (18)Enthalpy of Vaporization: 126.49 kJ/mol; (19)Boiling Point: 841.5 °C at 760 mmHg; (20)Vapour Pressure: 1.22E-29 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=CC=C1C2=CC(=O)C3=C(C(=C(C=C3O2)O)OC4=CC=C(C=C4)C5=CC(=O)C6=C(C=C(C=C6O5)O)O)O)O
(2)InChI: InChI=1S/C30H18O10/c31-16-5-1-14(2-6-16)24-12-21(35)28-26(40-24)13-22(36)30(29(28)37)38-18-7-3-15(4-8-18)23-11-20(34)27-19(33)9-17(32)10-25(27)39-23/h1-13,31-33,36-37H
(3)InChIKey: WTDHMFBJQJSTMH-UHFFFAOYSA-N