| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 1KMF3P05N6 |
| EPA CompTox | DTXSID9061332 |
Structure
| InChI Key | PLUNGZQWVYCJBJ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H16O4 |
| Molecular Weight | 188.1 |
| AlogP | 1.09 |
| Hydrogen Bond Acceptor | 4.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 44.76 |
| Heavy Atoms | 13.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 941-43-5 |
| NORMAN SUSDAT | |
| FDA SRS | 1KMF3P05N6 |
| PubChem | 70332 |
| ChemSpider | 63513.0 |
CONTENTS
