| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 6172C054XY |
| EPA CompTox | DTXSID20879477 |
Structure
| InChI Key | LSWRBVSEWBWTDR-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H10O3 |
| Molecular Weight | 166.06 |
| AlogP | 0.84 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 46.53 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 94-33-7 |
| NORMAN SUSDAT | |
| FDA SRS | 6172C054XY |
| PubChem | 66747 |
CONTENTS
