HuagongsheHuagongshe Chemistry Print Report · For research reference only
Ethyl Hydroxy(isoquinolin-5-yl)acetate
Identifiers & Physical Properties
| Molecular formula | C13H13NO3 |
|---|---|
| Average molar mass | 231.25 g/mol |
| SMILES | CCOC(=O)C(O)c1cccc2cnccc12 |
| InChIKey | SBHMULRSXNMZOH-UHFFFAOYSA-N |
| PubChem CID | 11368232 |
Chemical & Physical Properties
| XLogP | 1.7 |
|---|---|
| Topological polar surface area | 59.4 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 4 |
| Heavy atoms | 17 |
| Formal charge | 0 |
| Complexity | 269 |