| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | N96404R1FH |
| EPA CompTox | DTXSID401030795 |
Structure
| InChI Key | NMQQBXHZBNUXGJ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H8O2 |
| Molecular Weight | 112.05 |
| AlogP | 1.25 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 26.3 |
| Heavy Atoms | 8.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 1515-76-0 |
| NORMAN SUSDAT | |
| FDA SRS | N96404R1FH |
| PubChem | 15195 |
CONTENTS
