| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| InChI Key | CDCQKYGCIPUMCF-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C12H16O4 |
| Molecular Weight | 224.1 |
| AlogP | 1.95 |
| Hydrogen Bond Acceptor | 4.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 44.76 |
| Heavy Atoms | 16.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 69098-08-4 |
| NORMAN SUSDAT | |
| PubChem | 6613310 |
| ChemSpider | 5045500.0 |