| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 28Q8VMP7TE |
| EPA CompTox | DTXSID00940391 |
Structure
| InChI Key | HTJFSXYVAKSPNF-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H10O2 |
| Molecular Weight | 114.07 |
| AlogP | 0.56 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 25.06 |
| Heavy Atoms | 8.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 1888-89-7 |
| NORMAN SUSDAT | |
| FDA SRS | 28Q8VMP7TE |
| PubChem | 15903 |
CONTENTS
