| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 9RI9XUV30G |
| EPA CompTox | DTXSID2051768 |
Structure
| InChI Key | HOWBPXBYCPKWBL-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H14O2 |
| Molecular Weight | 142.1 |
| AlogP | 1.76 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 26.3 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 1617-23-8 |
| NORMAN SUSDAT | |
| FDA SRS | 9RI9XUV30G |
| PubChem | 5463855 |
| ChemSpider | 4576405.0 |
CONTENTS
