| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | D56NXJ5UMC |
| EPA CompTox | DTXSID80165984 |
| InChI Key | KYYUCZOHNYSLFV-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C9H14O4 |
| Molecular Weight | 186.09 |
| AlogP | 0.89 |
| Hydrogen Bond Acceptor | 4.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 52.6 |
| Heavy Atoms | 13.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 1559-02-0 |
| NORMAN SUSDAT | |
| FDA SRS | D56NXJ5UMC |
| PubChem | 73790 |
| ChemSpider | 9863.0 |