| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 9PGC28AD3Q |
| EPA CompTox | DTXSID00194019 |
| InChI Key | SEZPICVFXSJZBS-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C12H14O4 |
| Molecular Weight | 222.09 |
| AlogP | 1.59 |
| Hydrogen Bond Acceptor | 4.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 52.6 |
| Heavy Atoms | 16.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 41051-18-7 |
| NORMAN SUSDAT | |
| FDA SRS | 9PGC28AD3Q |
| PubChem | 3016246 |
| ChemSpider | 2284225.0 |