| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID20193160 |
| InChI Key | LQAWZEZWVLAIHL-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C9H14O5 |
| Molecular Weight | 202.08 |
| AlogP | 0.64 |
| Hydrogen Bond Acceptor | 5.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 61.83 |
| Heavy Atoms | 14.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 40131-09-7 |
| NORMAN SUSDAT | |
| PubChem | 3016162 |
| ChemSpider | 2284159.0 |