| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | Q0TJ5Q05LN |
| EPA CompTox | DTXSID3044671 |
Structure
| InChI Key | MWXWHUXLVXOXBZ-UHFFFAOYNA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H10O2 |
| Molecular Weight | 126.07 |
| AlogP | 1.72 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 33.37 |
| Heavy Atoms | 9.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 4208-61-1 |
| NORMAN SUSDAT | |
| FDA SRS | Q0TJ5Q05LN |
| ChemSpider | 31027.0 |
CONTENTS
