| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 9260LA114I |
| EPA CompTox | DTXSID801017541 |
Structure
| InChI Key | RRXOQHQFJOQLQR-AATRIKPKSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C12H16O3 |
| Molecular Weight | 208.11 |
| AlogP | 2.75 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 27.69 |
| Heavy Atoms | 15.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 5273-85-8 |
| NORMAN SUSDAT | |
| FDA SRS | 9260LA114I |
CONTENTS
