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CAS No.: | 76792-94-4 |
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Name: | 3-Hydroxy-4',5,7-trimethoxyflavane |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C18H18O6 |
Molecular Weight: | 330.337 |
Synonyms: | -Tri-O-methylaromadendrin;4'-Tri-O-methylaromadendrin;5,7,4'-Tri-O-MethylaroMadendrin;3-Hydroxy-4',5,7-trimethoxyflavane;3-Hydroxy-4',5,7-triMethoxyflavanone;3-Hydroxy-5,7-diMethoxy-2-(4-Methoxyphenyl)chroMan-4-one;(2R,3R)-2,3-Dihydro-3-hydroxy-5,7-dimethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one;4H-1-Benzopyran-4-one, 2,3-dihydro-3-hydroxy-5,7-dimethoxy-2-(4-methoxyphenyl)-, (2R,3R)- |
Density: | 1.285 g/cm3 |
Boiling Point: | 547.772 °C at 760 mmHg |
Flash Point: | 200.688 °C |
PSA: | 74.22000 |
LogP: | 2.38970 |
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The 3-Hydroxy-4',5,7-trimethoxyflavanone, with the CAS registry number, is also known as 76792-94-4. This chemical's molecular weight is 330.3319. What's more, its systematic name is called 3-Hydroxy-5,7-dimethoxy-2-(4-methoxyphenyl)-2,3-dihydro-4H-chromen-4-one.
Physical properties about 3-Hydroxy-4',5,7-trimethoxyflavanone are: (1)ACD/LogP: 2.84; (2)#of Rule of 5 Violations: 0; (3)#H bond acceptors: 6; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 74.22Å2 ; (7)Index of Refraction: 1.586; (8)Molar Refractivity: 86.233 cm3; (9)Molar Volume: 256.981 cm3; (10)Polarizability: 34.185 10×
You can still convert the following datas into molecular structure:
(1) SMILES: O=C2c3c(OC(c1ccc(OC)cc1)C2O)cc(OC)cc3OC
(2) InChI: InChI=1/C18H18O6/c1-21-11-6-4-10(5-7-11)18-17(20)16(19)15-13(23-3)8-12(22-2)9-14(15)24-18/h4-9,17-18,20H,1-3H3
(3) InChIKey: WXOQEHYPPLFAFZ-UHFFFAOYAL