| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | XVQ6PE5CLT |
| EPA CompTox | DTXSID7058886 |
Structure
| InChI Key | FGYDHYCFHBSNPE-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C13H16O4 |
| Molecular Weight | 236.1 |
| AlogP | 1.9 |
| Hydrogen Bond Acceptor | 4.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 52.6 |
| Heavy Atoms | 17.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 83-13-6 |
| NORMAN SUSDAT | |
| FDA SRS | XVQ6PE5CLT |
| PubChem | 66514 |
| ChemSpider | 59885.0 |
CONTENTS
