| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 1E2L0W6KK8 |
| EPA CompTox | DTXSID60161303 |
| InChI Key | MGMUFSXXHCQPGA-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C8H8O5 |
| Molecular Weight | 184.04 |
| AlogP | 0.11 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 4.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 97.99 |
| Heavy Atoms | 13.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 1403-56-1 |
| NORMAN SUSDAT | |
| FDA SRS | 1E2L0W6KK8 |
| PubChem | 14964 |
| ChemSpider | 14249.0 |