| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | ECL9D55WCF |
| EPA CompTox | DTXSID20189361 |
| InChI Key | ROEMZKPINYTSKV-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C11H14O3 |
| Molecular Weight | 194.09 |
| AlogP | 2.26 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 35.53 |
| Heavy Atoms | 14.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 35826-59-6 |
| NORMAN SUSDAT | |
| FDA SRS | ECL9D55WCF |
| PubChem | 3015807 |
| ChemSpider | 2283871.0 |