| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | P453VWE7LY |
| EPA CompTox | DTXSID30212836 |
| InChI Key | BWRCJLJJIXYLNV-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C9H10O4 |
| Molecular Weight | 182.06 |
| AlogP | 1.19 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 55.76 |
| Heavy Atoms | 13.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 6342-70-7 |
| NORMAN SUSDAT | |
| FDA SRS | P453VWE7LY |
| PubChem | 80651 |
| ChemSpider | 72836.0 |