| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | JWE1QQ247N |
| EPA CompTox | DTXSID1041421 |
| InChI Key | NXJCRELRQHZBQA-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C11H10O4 |
| Molecular Weight | 206.06 |
| AlogP | 1.81 |
| Hydrogen Bond Acceptor | 4.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 48.67 |
| Heavy Atoms | 15.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 487-06-9 |
| NORMAN SUSDAT | |
| FDA SRS | JWE1QQ247N |
| PubChem | 2775 |
| ChemSpider | 2673.0 |