(+/-)-Catechin hydrate

CAS	7295-85-4
Structure
Synonyms	trans-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-1(2H)-benzopyran-3,5,7-triol hydrate
IUPAC Name	2-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
Molecular Weight	290.27
Molecular Formula	C15H14O6
Canonical SMILES	C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O
InChI	InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2
InChI Key	PFTAWBLQPZVEMU-UHFFFAOYSA-N
Boiling Point	630.4±55.0 °C
Melting Point	200 °C (dec.)
Purity	98%
Density	1.593±0.06 g/ml
pKa	9.54±0.10
Appearance	White to light-yellow powder