| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | C9096D920O |
| EPA CompTox | DTXSID701298647 |
| InChI Key | YTFVRYKNXDADBI-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C12H14O5 |
| Molecular Weight | 238.08 |
| AlogP | 1.81 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 64.99 |
| Heavy Atoms | 17.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 20329-98-0 |
| NORMAN SUSDAT | |
| FDA SRS | C9096D920O |
| PubChem | 7021 |
| ChemSpider | 6754.0 |