| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 5O3N4U82G7 |
| EPA CompTox | DTXSID00150554 |
| InChI Key | TXGSOSAONMOPDL-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C10H12O5 |
| Molecular Weight | 212.07 |
| AlogP | 1.37 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 86.99 |
| Heavy Atoms | 15.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 1138-60-9 |
| NORMAN SUSDAT | |
| FDA SRS | 5O3N4U82G7 |
| PubChem | 70826 |
| ChemSpider | 63990.0 |