| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | S53DVM2W5X |
| EPA CompTox | DTXSID70188309 |
| InChI Key | WPBUABKBDHGOAJ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C8H10O2 |
| Molecular Weight | 138.07 |
| AlogP | 1.72 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 30.21 |
| Heavy Atoms | 10.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 34756-16-6 |
| NORMAN SUSDAT | |
| FDA SRS | S53DVM2W5X |
| PubChem | 99537 |
| ChemSpider | 89925.0 |