| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 3Q95S830W6 |
| EPA CompTox | DTXSID80211455 |
Structure
| InChI Key | UAGJVSRUFNSIHR-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H10O3 |
| Molecular Weight | 130.06 |
| AlogP | 0.53 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 43.37 |
| Heavy Atoms | 9.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 624-45-3 |
| NORMAN SUSDAT | |
| FDA SRS | 3Q95S830W6 |
| PubChem | 69354 |
| ChemSpider | 62563.0 |
CONTENTS
