| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | ELL83X9LXJ |
| EPA CompTox | DTXSID10190901 |
| InChI Key | KZNQBPNFLGQMQR-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C12H14O3 |
| Molecular Weight | 206.09 |
| AlogP | 1.76 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 35.53 |
| Heavy Atoms | 15.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 37464-90-7 |
| NORMAN SUSDAT | |
| FDA SRS | ELL83X9LXJ |
| PubChem | 99595 |
| ChemSpider | 89979.0 |