| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | XF3T5YJT4R |
| EPA CompTox | DTXSID50231145 |
Structure
| InChI Key | AUZFRUHVDNDVJI-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H10O3 |
| Molecular Weight | 142.06 |
| AlogP | 0.37 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 51.21 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 815-68-9 |
| NORMAN SUSDAT | |
| FDA SRS | XF3T5YJT4R |
| PubChem | 69950 |
| ChemSpider | 63143.0 |
CONTENTS
