| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | OAK281WZ1P |
| EPA CompTox | DTXSID9073129 |
Structure
| InChI Key | JDFDHBSESGTDAL-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C4H10O2 |
| Molecular Weight | 90.07 |
| AlogP | 0.02 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 29.46 |
| Heavy Atoms | 6.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 1589-49-7 |
| NORMAN SUSDAT | |
| FDA SRS | OAK281WZ1P |
| PubChem | 74116 |
| ChemSpider | 66729.0 |
CONTENTS
