| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 9EYJ6T4Z7D |
| EPA CompTox | DTXSID00232167 |
Structure
| InChI Key | MIAQBCIDZSELDU-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C11H14O3 |
| Molecular Weight | 194.09 |
| AlogP | 2.3 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 35.53 |
| Heavy Atoms | 14.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 831-00-5 |
| NORMAN SUSDAT | |
| FDA SRS | 9EYJ6T4Z7D |
| PubChem | 70020 |
| ChemSpider | 63212.0 |
CONTENTS
