| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | PFR9ME6WAG |
| EPA CompTox | DTXSID3062867 |
| InChI Key | AQDIJIAUYXOCGX-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C8H8O5 |
| Molecular Weight | 184.04 |
| AlogP | 0.59 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 86.99 |
| Heavy Atoms | 13.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 3147-39-5 |
| NORMAN SUSDAT | |
| FDA SRS | PFR9ME6WAG |
| PubChem | 76600 |
| ChemSpider | 69065.0 |