| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 4CA35H88JE |
| EPA CompTox | DTXSID80204382 |
Structure
| InChI Key | BTVWZWFKMIUSGS-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C4H10O2 |
| Molecular Weight | 90.07 |
| AlogP | -0.25 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 40.46 |
| Heavy Atoms | 6.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 558-43-0 |
| NORMAN SUSDAT | |
| FDA SRS | 4CA35H88JE |
| PubChem | 68410 |
| ChemSpider | 61693.0 |
CONTENTS
