HuagongsheHuagongshe Chemistry Print Report · For research reference only
1-(2-Oxopropyl)pyridin-1-ium-3-carboxamide chloride
1-Acetonyl-3-carbamoylpyridinium chloride
Identifiers & Physical Properties
| CAS No. | 64881-07-8 |
|---|---|
| Molecular formula | C9H11ClN2O2 |
| Average molar mass | 214.65 g/mol |
| Monoisotopic mass | 214.0509053 g/mol |
| SMILES | CC(=O)C[n+]1cccc(C(N)=O)c1.[Cl-] |
| InChIKey | OMAXQGPZZFQQKV-UHFFFAOYSA-N |
| PubChem CID | 45050513 |
| DTXSID | DTXSID101380050 |
Chemical & Physical Properties
| Topological polar surface area | 64 |
|---|---|
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 3 |
| Heavy atoms | 14 |
| Formal charge | 0 |
| Complexity | 216 |