25526-93-6 Purity
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Specification
The molecular formula of 1,6,7-Trihydroxyxanthone is C13H8O5.
The molecular weight of 1,6,7-Trihydroxyxanthone is 244.20 g/mol.
The IUPAC name of 1,6,7-Trihydroxyxanthone is 1,6,7-trihydroxyxanthen-9-one.
The InChI of 1,6,7-Trihydroxyxanthone is InChI=1S/C13H8O5/c14-7-2-1-3-10-12(7)13(17)6-4-8(15)9(16)5-11(6)18-10/h1-5,14-16H.
The InChIKey of 1,6,7-Trihydroxyxanthone is SIYGDHCRSSTGRT-UHFFFAOYSA-N.
The canonical SMILES of 1,6,7-Trihydroxyxanthone is C1=CC(=C2C(=C1)OC3=CC(=C(C=C3C2=O)O)O)O.
The CAS number of 1,6,7-Trihydroxyxanthone is 25577-04-2.
The ChEMBL ID of 1,6,7-Trihydroxyxanthone is CHEMBL4094195.
The XLogP3-AA value of 1,6,7-Trihydroxyxanthone is 2.4.
Yes, 1,6,7-Trihydroxyxanthone is a canonicalized compound.