| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 9F93674JBB |
| EPA CompTox | DTXSID10166186 |
| InChI Key | BPBDZXFJDMJLIB-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C9H12O2 |
| Molecular Weight | 152.08 |
| AlogP | 0.75 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 40.46 |
| Heavy Atoms | 11.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 1570-95-2 |
| NORMAN SUSDAT | |
| FDA SRS | 9F93674JBB |
| PubChem | 254178 |
| ChemSpider | 222786.0 |