HuagongsheHuagongshe Chemistry Print Report · For research reference only
But-2-ynamide

Identifiers & Physical Properties
| CAS No. | 6052-32-0 |
|---|---|
| Molecular formula | C4H5NO |
| Average molar mass | 83.09 g/mol |
| Monoisotopic mass | 83.03711378 g/mol |
| SMILES | CC#CC(N)=O |
| InChIKey | STSBIYSZXHSXHH-UHFFFAOYSA-N |
| PubChem CID | 4678317 |
| EC No. | 191-815-1 |
Chemical & Physical Properties
| XLogP | 0.1 |
|---|---|
| Topological polar surface area | 43.1 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 1 |
| Rotatable bonds | 0 |
| Heavy atoms | 6 |
| Formal charge | 0 |
| Complexity | 114 |