| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 67HS6Y2X2R |
| EPA CompTox | DTXSID20205090 |
Structure
| InChI Key | CRLBBOBKCLYCJK-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H12O3 |
| Molecular Weight | 168.08 |
| AlogP | 1.2 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 38.69 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 5653-67-8 |
| NORMAN SUSDAT | |
| FDA SRS | 67HS6Y2X2R |
| PubChem | 79738 |
| ChemSpider | 72037.0 |
CONTENTS
