| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 655WKG5F95 |
| EPA CompTox | DTXSID4068292 |
| InChI Key | VLYBFLKIZIACQH-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C9H10O4 |
| Molecular Weight | 182.06 |
| AlogP | 1.04 |
| Hydrogen Bond Acceptor | 4.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 56.51 |
| Heavy Atoms | 13.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 41264-06-6 |
| NORMAN SUSDAT | |
| FDA SRS | 655WKG5F95 |
| PubChem | 170485 |
| ChemSpider | 149056.0 |