| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | F805RZI8GO |
| EPA CompTox | DTXSID9057680 |
| InChI Key | IHMQOBPGHZFGLC-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C11H12O3 |
| Molecular Weight | 192.08 |
| AlogP | 1.83 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 35.53 |
| Heavy Atoms | 14.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 2107-69-9 |
| NORMAN SUSDAT | |
| FDA SRS | F805RZI8GO |
| PubChem | 75018 |
| ChemSpider | 522664.0 |