| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | ZO2AW8UR5T |
| EPA CompTox | DTXSID7027178 |
Structure
| InChI Key | SPEUIVXLLWOEMJ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C4H10O2 |
| Molecular Weight | 90.07 |
| AlogP | 0.63 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 18.46 |
| Heavy Atoms | 6.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 534-15-6 |
| NORMAN SUSDAT | |
| FDA SRS | ZO2AW8UR5T |
| PubChem | 10795 |
| ChemSpider | 13854808.0 |
CONTENTS
