| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 0V30H1KF4J |
| EPA CompTox | DTXSID9025405 |
Structure
| InChI Key | JPEGUDKOYOIOOP-UHFFFAOYNA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H18O2 |
| Molecular Weight | 158.13 |
| AlogP | 1.98 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 7.0 |
| Polar Surface Area | 21.76 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 5926-90-9 |
| NORMAN SUSDAT | |
| FDA SRS | 0V30H1KF4J |
| ChemSpider | 20855.0 |
CONTENTS
