HuagongsheHuagongshe Chemistry Print Report · For research reference only
Acetonitrile--water (1/1)
Identifiers & Physical Properties
| CAS No. | 128870-13-3 |
|---|---|
| Molecular formula | C2H5NO |
| Average molar mass | 59.07 g/mol |
| Monoisotopic mass | 59.03711378 g/mol |
| SMILES | CC#N.O |
| InChIKey | PBCJIPOGFJYBJE-UHFFFAOYSA-N |
| PubChem CID | 18373917 |
| DTXSID | DTXSID00593220 |
Chemical & Physical Properties
| Topological polar surface area | 24.8 |
|---|---|
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 0 |
| Heavy atoms | 4 |
| Formal charge | 0 |
| Complexity | 29.3 |