3,3'-Di-O-Methylellagic Acid

CAS	2239-88-5
Structure
Synonyms	2,7-Dihydroxy-3,8-dimethoxy-4,9-dioxapyrene-5,10-dione
IUPAC Name	6,13-Dihydroxy-7,14-dimethoxy-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione
Molecular Weight	330.25
Molecular Formula	C16H10O8
Canonical SMILES	COC1=C(C=C2C3=C1OC(=O)C4=CC(=C(C(=C43)OC2=O)OC)O)O
InChI	InChI=1S/C16H10O8/c1-21-11-7(17)3-5-9-10-6(15(19)23-13(9)11)4-8(18)12(22-2)14(10)24-16(5)20/h3-4,17-18H,1-2H3
InChI Key	KLAGYIBJNXLDTL-UHFFFAOYSA-N
Boiling Point	675.2±55.0 °C
Melting Point	330-331 °C
Purity	98%
Density	1.673±0.06 g/ml
pKa	7.37±0.20
Appearance	Solid