| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | DHP3NNH2R6 |
| EPA CompTox | DTXSID60170394 |
Structure
| InChI Key | DHGFMVMDBNLMKT-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H12O3 |
| Molecular Weight | 144.08 |
| AlogP | 0.92 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 43.37 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 1779-60-8 |
| NORMAN SUSDAT | |
| FDA SRS | DHP3NNH2R6 |
| PubChem | 74507 |
| ChemSpider | 67088.0 |
CONTENTS
