1,3,6-Trihydroxy-5-methoxyxanthone

Base Information

• Chemical Name: 1,3,6-Trihydroxy-5-methoxyxanthone
• CAS No.: 41357-84-0
• Molecular Formula: C14H10O6
• Molecular Weight: 274.22
• UNII: WY85NST58S
• DSSTox Substance ID: DTXSID101296443
• Nikkaji Number: J795.602I
• Wikidata: Q105192453
• Metabolomics Workbench ID: 49290
• Mol file: 41357-84-0.mol

Synonyms:1,3,6-trihydroxy-5-methoxyxanthone;41357-84-0;1,3,6-trihydroxy-5-methoxyxanthen-9-one;1,3,6-Trihydroxy-5-methoxy-9H-xanthen-9-one;WY85NST58S;SCHEMBL22325399;CHEBI:174597;DTXSID101296443;HY-N10786;1,3,6-trihydroxy-5-methoxy xanthone;AKOS040734939;1,3,6-trihydroxy-5-methoxy-xanthen-9-one;CS-0636042;9H-Xanthen-9-one, 1,3,6-trihydroxy-5-methoxy-;5-METHOXY-1,3,6-TRIS(OXIDANYL)XANTHEN-9-ONE

Chemical Property of 1,3,6-Trihydroxy-5-methoxyxanthone

Chemical Property:

• Appearance/Colour: Solid
• Melting Point: 290 - 291 °C
• PKA: 6.65±0.20(Predicted)
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 274.04773803
• Heavy Atom Count: 20
• Complexity: 386

Purity/Quality:

99%+, ^*data from raw suppliers

1,3,6-Trihydroxy-5-methoxyxanthone ≥98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=C(C=CC2=C1OC3=CC(=CC(=C3C2=O)O)O)O