| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | TCM0BJ44MF |
| EPA CompTox | DTXSID4060442 |
Structure
| InChI Key | LVSQXDHWDCMMRJ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C4H8O2 |
| Molecular Weight | 88.05 |
| AlogP | -0.04 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 37.3 |
| Heavy Atoms | 6.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 590-90-9 |
| NORMAN SUSDAT | |
| FDA SRS | TCM0BJ44MF |
| PubChem | 111509 |
| ChemSpider | 100056.0 |
CONTENTS
