HuagongsheHuagongshe Chemistry Print Report · For research reference only
methyl 3-(1H-benzimidazol-1-yl)prop-2-enoate
Identifiers & Physical Properties
| CAS No. | 52517-80-3 |
|---|---|
| Molecular formula | C11H10N2O2 |
| Average molar mass | 202.21 g/mol |
| Monoisotopic mass | 202.07422757 g/mol |
| SMILES | COC(=O)C=Cn1cnc2ccccc21 |
| InChIKey | MKSRVTFIQXUOAM-UHFFFAOYSA-N |
| PubChem CID | 288564 |
| DTXSID | DTXSID70302245 |
Chemical & Physical Properties
| XLogP | 1.5 |
|---|---|
| Topological polar surface area | 44.1 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 3 |
| Heavy atoms | 15 |
| Formal charge | 0 |
| Complexity | 265 |