HuagongsheHuagongshe Chemistry Print Report · For research reference only
[(3-Methylimidazol-3-ium-1-yl)-phenylmethyl] benzoate
![[(3-Methylimidazol-3-ium-1-yl)-phenylmethyl] benzoate molecular structure](/img/chemical/14128200.png)
Identifiers & Physical Properties
| Molecular formula | C18H17N2O2+ |
|---|---|
| Average molar mass | 293.3 g/mol |
| Monoisotopic mass | 293.12900279 g/mol |
| SMILES | C[n+]1ccn(C(OC(=O)c2ccccc2)c2ccccc2)c1 |
| InChIKey | IFNMUAFBOBAUJL-UHFFFAOYSA-N |
| PubChem CID | 14128200 |
Chemical & Physical Properties
| XLogP | 3.4 |
|---|---|
| Topological polar surface area | 35.1 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 5 |
| Heavy atoms | 22 |
| Formal charge | 1 |
| Complexity | 362 |