| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 85FS4Y39LJ |
| EPA CompTox | DTXSID20861716 |
Structure
| InChI Key | IGIDLTISMCAULB-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H12O2 |
| Molecular Weight | 116.08 |
| AlogP | 1.51 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 37.3 |
| Heavy Atoms | 8.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 105-43-1 |
| NORMAN SUSDAT | |
| FDA SRS | 85FS4Y39LJ |
| PubChem | 7755 |
CONTENTS
