| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 9OA65529VT |
| EPA CompTox | DTXSID90879242 |
| InChI Key | UBPGILLNMDGSDS-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C8H14O5 |
| Molecular Weight | 190.08 |
| AlogP | 0.13 |
| Hydrogen Bond Acceptor | 5.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 61.83 |
| Heavy Atoms | 13.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 628-68-2 |
| NORMAN SUSDAT | |
| FDA SRS | 9OA65529VT |
| PubChem | 69411 |
| ChemSpider | 62619.0 |