| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | SO5F79G1MJ |
| EPA CompTox | DTXSID90887463 |
| InChI Key | NBKYPRRBTKRGLE-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C9H10O4 |
| Molecular Weight | 182.06 |
| AlogP | 1.26 |
| Hydrogen Bond Acceptor | 4.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 56.51 |
| Heavy Atoms | 13.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 68555-63-5 |
| NORMAN SUSDAT | |
| FDA SRS | SO5F79G1MJ |
| PubChem | 110543 |
| ChemSpider | 99219.0 |