94102-66-6 Purity
96%
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The molecular formula of 6,7,4'-Trihydroxyisoflavan is C15H14O4.
The synonyms of 6,7,4'-Trihydroxyisoflavan are 3-Phenylchroman-4,6,7-triol and 3-phenyl-3,4-dihydro-2H-1-benzopyran-4,6,7-triol.
The molecular weight of 6,7,4'-Trihydroxyisoflavan is 258.27 g/mol.
The IUPAC name of 6,7,4'-Trihydroxyisoflavan is 3-phenyl-3,4-dihydro-2H-chromene-4,6,7-triol.
The InChI of 6,7,4'-Trihydroxyisoflavan is InChI=1S/C15H14O4/c16-12-6-10-14(7-13(12)17)19-8-11(15(10)18)9-4-2-1-3-5-9/h1-7,11,15-18H,8H2.
The InChIKey of 6,7,4'-Trihydroxyisoflavan is MLYJXOGQMWPMGJ-UHFFFAOYSA-N.
The Canonical SMILES of 6,7,4'-Trihydroxyisoflavan is C1C(C(C2=CC(=C(C=C2O1)O)O)O)C3=CC=CC=C3.
The XLogP3-AA value of 6,7,4'-Trihydroxyisoflavan is 1.9.
6,7,4'-Trihydroxyisoflavan has 3 hydrogen bond donor count.
6,7,4'-Trihydroxyisoflavan has 4 hydrogen bond acceptor count.