Tea, ext.

[5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate

CAS: 84650-60-2

Molecular Formula	`C22H18O11`
Molecular Weight	458.4 g/mol
LogP	1.2
Topological Polar Surface Area	197.0 A2
Hydrogen Bond Donors	8
Hydrogen Bond Acceptors	11
Rotatable Bonds	4
Exact Mass	458.0849
Heavy Atoms	33
Complexity	667.0

Chemical Identifiers

CAS Number	84650-60-2
SMILES	`C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O`
InChIKey	`WMBWREPUVVBILR-UHFFFAOYSA-N`

📖 Product Overview

Tea, ext. (CAS: 84650-60-2) is a chemical compound with molecular formula C22H18O11 and molecular weight 458.4 g/mol. Its IUPAC systematic name is [5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate. LogP 1.2 Topological Polar Surface Area 197.0 A2 Hydrogen Bond Donors 8 Hydrogen Bond Acceptors 11 Rotatable Bonds 4 Exact Mass 458.0849 Heavy Atoms 33 Complexity 667.0 InChI Key: WMBWREPUVVBILR-UHFFFAOYSA-N. SMILES: C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O.

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