| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | KUH22P7678 |
| EPA CompTox | DTXSID30217427 |
| InChI Key | GZYXPXGNODDCBD-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C8H12O4 |
| Molecular Weight | 172.07 |
| AlogP | 0.64 |
| Hydrogen Bond Acceptor | 4.0 |
| Polar Surface Area | 52.6 |
| Heavy Atoms | 12.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 6713-72-0 |
| NORMAN SUSDAT | |
| FDA SRS | KUH22P7678 |
| PubChem | 81211 |
| ChemSpider | 73269.0 |