| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | ZLV1S0NNZH |
| EPA CompTox | DTXSID3058953 |
| InChI Key | NKRISXMDKXBVRJ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C12H12O3 |
| Molecular Weight | 204.08 |
| AlogP | 2.5 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 39.44 |
| Heavy Atoms | 15.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 87-05-8 |
| NORMAN SUSDAT | |
| FDA SRS | ZLV1S0NNZH |
| PubChem | 66595 |
| ChemSpider | 59963.0 |