944-61-6 Purity
96%
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Specification
The molecular formula is C20H16O3.
It was created on 2005-09-08 and modified on 2023-12-30.
The IUPAC name is 9-(4-methoxyphenyl)xanthen-9-ol.
The InChI is InChI=1S/C20H16O3/c1-22-15-12-10-14(11-13-15)20(21)16-6-2-4-8-18(16)23-19-9-5-3-7-17(19)20/h2-13,21H,1H3.
The InChIKey is ZYACEJZTEMQQEU-UHFFFAOYSA-N.
The Canonical SMILES is COC1=CC=C(C=C1)C2(C3=CC=CC=C3OC4=CC=CC=C42)O.
The molecular weight is 304.3 g/mol.
It has 1 hydrogen bond donor count.
The XLogP3-AA value is 3.8.
Yes, it is considered a canonical molecule.