| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | JE83E4XFCE |
| EPA CompTox | DTXSID90863949 |
| InChI Key | ZJMLZGKLUMJGSL-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C11H14O3 |
| Molecular Weight | 194.09 |
| AlogP | 1.94 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 35.53 |
| Heavy Atoms | 14.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 6807-11-0 |
| NORMAN SUSDAT | |
| FDA SRS | JE83E4XFCE |
| PubChem | 81258 |
| ChemSpider | 73314.0 |