HuagongsheHuagongshe Chemistry Print Report · For research reference only
Methyl 5-cyano-2,4-dimethoxybenzoate
Identifiers & Physical Properties
| Molecular formula | C11H11NO4 |
|---|---|
| Average molar mass | 221.21 g/mol |
| Monoisotopic mass | 221.06880783 g/mol |
| SMILES | COC(=O)c1cc(C#N)c(OC)cc1OC |
| InChIKey | XEXHDVYPVHNHTN-UHFFFAOYSA-N |
| PubChem CID | 16638027 |
Chemical & Physical Properties
| XLogP | 1.4 |
|---|---|
| Topological polar surface area | 68.6 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 5 |
| Rotatable bonds | 4 |
| Heavy atoms | 16 |
| Formal charge | 0 |
| Complexity | 296 |