| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 53I7K68X7Z |
| EPA CompTox | DTXSID10217485 |
| InChI Key | MTZAUZNQAMNFME-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C7H8O3 |
| Molecular Weight | 140.05 |
| AlogP | 0.96 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 39.44 |
| Heavy Atoms | 10.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 672-89-9 |
| NORMAN SUSDAT | |
| FDA SRS | 53I7K68X7Z |
| PubChem | 12651 |
| ChemSpider | 12130.0 |