| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | S0859MSI8I |
| EPA CompTox | DTXSID6020480 |
| InChI Key | PHMNXPYGVPEQSJ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C8H14O4 |
| Molecular Weight | 174.09 |
| AlogP | 1.05 |
| Hydrogen Bond Acceptor | 4.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 44.76 |
| Heavy Atoms | 12.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 828-00-2 |
| NORMAN SUSDAT | |
| FDA SRS | S0859MSI8I |
| PubChem | 13232 |
| ChemSpider | 12677.0 |