HuagongsheHuagongshe Chemistry Print Report · For research reference only
1,3,5-Trihydroxyxanthone
5-Trihydroxyxanthone · 1,3,5-Trihydroxyxanthone · 1,3,5-Trihydroxy-9H-xanthen-9-one · 9H-Xanthen-9-one,1,3,5-trihydroxy-

Identifiers & Physical Properties
| CAS No. | 6732-85-0 |
|---|---|
| Molecular formula | C13H8O5 |
| Average molar mass | 244.2 g/mol |
| Monoisotopic mass | 244.03717336 g/mol |
| SMILES | O=c1c2cccc(O)c2oc2cc(O)cc(O)c12 |
| InChIKey | XESIWQIMUSNPRO-UHFFFAOYSA-N |
| PubChem CID | 5281663 |
| ChEMBL | CHEMBL365234 |
| ChEBI | CHEBI:514 |
| DTXSID | DTXSID00415170 |
Chemical & Physical Properties
| XLogP | 2.4 |
|---|---|
| Topological polar surface area | 87 |
| Hydrogen bond donors | 3 |
| Hydrogen bond acceptors | 5 |
| Rotatable bonds | 0 |
| Heavy atoms | 18 |
| Formal charge | 0 |
| Complexity | 344 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H302-H315-H319-H335 |
| GHS precautionary statements | P280-P305+P351+P338 |
Safety & Regulations
| Signal word | Warning |
|---|---|
| GHS pictogram | GHS07 |
| GHS hazard statements | H302-H315-H319-H335 |
| GHS precautionary statements | P280-P305+P351+P338 |
Applications & Uses
Uses
1,3,5-Trihydroxyxanthone is a Xanthones product that can be isolated from the herbs of Calophyllum inophyllum L.[1].