| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID2068503 |
Structure
| InChI Key | KKOWMCYVIXBCGE-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H10O3 |
| Molecular Weight | 154.06 |
| AlogP | 0.76 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 49.69 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 49650-88-6 |
| NORMAN SUSDAT | |
| PubChem | 152273 |
| ChemSpider | 134214.0 |
CONTENTS
