| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | HCL6S9K23A |
| EPA CompTox | DTXSID7025716 |
| InChI Key | WVZWEMOFSIEEMU-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C9H4O3 |
| Molecular Weight | 160.02 |
| AlogP | -0.2 |
| Hydrogen Bond Acceptor | 3.0 |
| Polar Surface Area | 51.21 |
| Heavy Atoms | 12.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 485-47-2 |
| NORMAN SUSDAT | |
| FDA SRS | HCL6S9K23A |
| PubChem | 70309 |
| ChemSpider | 63492.0 |