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| CAS No.: | 24211-30-1 |
|---|---|
| Name: | 6,8-DIMETHYL-4',5,7-TRIHYDROXYFLAVANONE |
| Molecular Structure: | |
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| Formula: | C17H16O5 |
| Molecular Weight: | 300.311 |
| Synonyms: | 4H-1-Benzopyran-4-one,2,3-dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-dimethyl-, (S)-;Farrerol(6CI);Flavanone, 4',5,7-trihydroxy-6,8-dimethyl-, (-)- (8CI);(-)-Farrerol; |
| EINECS: | 246-080-2 |
| Density: | 1.391 g/cm3 |
| Melting Point: | 212-220 °C |
| Boiling Point: | 582.988 °C at 760 mmHg |
| Flash Point: | 219.666 °C |
| PSA: | 86.99000 |
| LogP: | 3.12670 |
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Specification
The Farrerol is an organic compound with the formula C17H16O5. The IUPAC name of this chemical is (2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-dimethyl-2,3-dihydrochromen-4-one. With the CAS registry number 24211-30-1, it is also named as 2,3-Dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-4H-1-benzopyran-4-one. The product's category is Flavanones.
Physical properties about this chemical are: (1)ACD/LogP: 4.11; (2)ACD/LogD (pH 5.5): 4.11; (3)ACD/LogD (pH 7.4): 4; (4)ACD/BCF (pH 5.5): 782.66; (5)ACD/BCF (pH 7.4): 601.81; (6)ACD/KOC (pH 5.5): 4095.94; (7)ACD/KOC (pH 7.4): 3149.46; (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: 1.662; (13)Molar Refractivity: 79.9 cm3; (14)Molar Volume: 215.8 cm3; (15)Polarizability: 31.67×10-24cm3; (16)Surface Tension: 64.6 dyne/cm; (17)Density: 1.391 g/cm3; (18)Flash Point: 219.7 °C; (19)Enthalpy of Vaporization: 90.37 kJ/mol; (20)Boiling Point: 583 °C at 760 mmHg; (21)Vapour Pressure: 3.44E-14 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C2c3c(OC(c1ccc(O)cc1)C2)c(c(O)c(c3O)C)C
(2)InChI: InChI=1/C17H16O5/c1-8-15(20)9(2)17-14(16(8)21)12(19)7-13(22-17)10-3-5-11(18)6-4-10/h3-6,13,18,20-21H,7H2,1-2H3
(3)InChIKey: DYHOLQACRGJEHX-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C17H16O5/c1-8-15(20)9(2)17-14(16(8)21)12(19)7-13(22-17)10-3-5-11(18)6-4-10/h3-6,13,18,20-21H,7H2,1-2H3
(5)Std. InChIKey: DYHOLQACRGJEHX-UHFFFAOYSA-N