| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | BWF78Q4EMV |
| EPA CompTox | DTXSID80193222 |
Structure
| InChI Key | PVCFQGTUBKQIMH-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C11H12O3 |
| Molecular Weight | 192.08 |
| AlogP | 1.86 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 43.37 |
| Heavy Atoms | 14.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 4023-80-7 |
| NORMAN SUSDAT | |
| FDA SRS | BWF78Q4EMV |
| PubChem | 77640 |
| ChemSpider | 70044.0 |
CONTENTS
