| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | FJJ5MYE75W |
| EPA CompTox | DTXSID10216599 |
| InChI Key | ZFBNNSOJNZBLLS-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C9H12O3 |
| Molecular Weight | 168.08 |
| AlogP | 1.72 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 38.69 |
| Heavy Atoms | 12.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 6638-05-7 |
| NORMAN SUSDAT | |
| FDA SRS | FJJ5MYE75W |
| PubChem | 240925 |
| ChemSpider | 73172.0 |