| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | XBA82A8RYZ |
| EPA CompTox | DTXSID1060760 |
| InChI Key | DSNYFFJTZPIKFZ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C9H12O1 |
| Molecular Weight | 136.09 |
| AlogP | 2.48 |
| Hydrogen Bond Acceptor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 9.23 |
| Heavy Atoms | 10.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 622-85-5 |
| NORMAN SUSDAT | |
| FDA SRS | XBA82A8RYZ |
| PubChem | 12155 |
| ChemSpider | 11655.0 |