| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | B2899Z0Q2U |
| EPA CompTox | DTXSID2044391 |
Structure
| InChI Key | CRBJBYGJVIBWIY-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H12O1 |
| Molecular Weight | 136.09 |
| AlogP | 2.52 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 20.23 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 88-69-7 |
| NORMAN SUSDAT | |
| FDA SRS | B2899Z0Q2U |
| PubChem | 6943 |
| ChemSpider | 6677.0 |
CONTENTS
