5,6-Dihydroxy-1,3-dimethoxy-9H-xanthen-9-one

Base Information

• Chemical Name: 5,6-Dihydroxy-1,3-dimethoxy-9H-xanthen-9-one
• CAS No.: 94936-03-5
• Molecular Formula: C15H12O6
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID60701682
• Nikkaji Number: J146.611I
• Wikidata: Q82633439
• ChEMBL ID: CHEMBL3093481
• Mol file: 94936-03-5.mol

Synonyms:94936-03-5;5,6-Dihydroxy-1,3-dimethoxy-9H-xanthen-9-one;CHEMBL3093481;DTXSID60701682;1,3-dimethoxy-5,6-dihydroxyxanthone

Chemical Property of 5,6-Dihydroxy-1,3-dimethoxy-9H-xanthen-9-one

Chemical Property:

• PSA: 89.13000
• LogP: 2.37460
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 288.06338810
• Heavy Atom Count: 21
• Complexity: 400

Purity/Quality:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC2=C(C(=C1)OC)C(=O)C3=C(O2)C(=C(C=C3)O)O

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