| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | EKV8I38F9I |
| EPA CompTox | DTXSID2047145 |
Structure
| InChI Key | YYPNJNDODFVZLE-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C5H8O2 |
| Molecular Weight | 100.05 |
| AlogP | 1.04 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 37.3 |
| Heavy Atoms | 7.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 541-47-9 |
| NORMAN SUSDAT | |
| FDA SRS | EKV8I38F9I |
| PubChem | 10931 |
| ChemSpider | 10468.0 |
CONTENTS
