| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | XNU9E8U6PY |
| EPA CompTox | DTXSID7051896 |
Structure
| InChI Key | FTTLMNXOYOVHAG-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C12H18O3 |
| Molecular Weight | 210.13 |
| AlogP | 2.77 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 27.69 |
| Heavy Atoms | 15.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 2403-58-9 |
| NORMAN SUSDAT | |
| FDA SRS | XNU9E8U6PY |
| PubChem | 75468 |
| ChemSpider | 67997.0 |
CONTENTS
