Basic information
- CAS
5042-08-0- Standard SMILES
O=c1c2ccc(O)cc2oc2cccc(O)c12- InChIKey
IUSXGFFUHTXSRD-UHFFFAOYSA-N- Molecular formula
- C13H8O4
- Average molar mass
- 228.2 g/mol
- Monoisotopic mass
- 228.04225874
Overview
1,6-Dihydroxyxanthone has been reported in Polygala tenuifolia, Securidaca longepedunculata, and other organisms with data available.
Names & identifiers
- Preferred name
- 1,6-Dihydroxyxanthone
- IUPAC
- 1,6-dihydroxyxanthen-9-one
Names & synonyms
1,6-Dihydroxyxanthone1,6-dihydroxyxanthen-9-one5042-08-0DTXSID60420523IsoeuxanthoneRefChem:73597DTXCID603713691,6-Dihydroxy-9H-xanthen-9-oneCHEMBL459695SCHEMBL2316559IUSXGFFUHTXSRD-UHFFFAOYSA-N
Database identifiers
- CAS
5042-08-0- PubChem CID
- 5493674
- DTXSID
DTXSID60420523- ChEMBL
CHEMBL459695- Nikkaji
- J540.489D
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 317
Related reactions
2 records
Compound notes
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