| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID80868024 |
Structure
| InChI Key | RBNOGZRVVHLYKT-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H16O4 |
| Molecular Weight | 188.1 |
| AlogP | 1.28 |
| Hydrogen Bond Acceptor | 4.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 52.6 |
| Heavy Atoms | 13.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 71662-27-6 |
| NORMAN SUSDAT | |
| PubChem | 9815474 |
CONTENTS
