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1-Benzopyrylium,2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-

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Name

1-Benzopyrylium,2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-

EINECS
CAS No. 13306-05-3 Density
Solubility Melting Point
Formula C15H11O6 Boiling Point
Molecular Weight 287.244240 Flash Point
Transport Information Appearance
Safety Risk Codes
Molecular Structure Molecular Structure of 13306-05-3 (1-Benzopyrylium,2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-) Hazard Symbols
Synonyms

3,3',4',5,7-Pentahydroxyflavyliumchlorid;

 

1-Benzopyrylium,2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy- Specification

The 1-Benzopyrylium,2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-, with the CAS registry number of 13306-05-3, is also known as 3,3',4',5,7-Pentahydroxyflavyliumchlorid. Its molecular formula is C15H11O6 and molecular weight is 287.244240. What's more, its IUPAC name is 2-(3,4-Dihydroxyphenyl)chromenylium-3,5,7-triol. It is a natural organic compound. It is a particular type of anthocyanidin (not to be confused with anthocyanins which are glycosides of anthocyanidins).

Physical properties about the 1-Benzopyrylium,2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy- are: (1)#H bond acceptors: 6; (2)#H bond donors: 5; (3)#Freely Rotating Bonds: 6; (4)Polar Surface Area: 59.29 Å2.

You can still convert the following datas into molecular structure:
(1) SMILES: Oc1ccc(cc1O)c3[o+]c2cc(O)cc(O)c2cc3O
(2) InChI: InChI=1/C15H10O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-6H,(H4-,16,17,18,19,20)/p+1
(3) InChIKey: VEVZSMAEJFVWIL-IKLDFBCSAG

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