Base information
| Cat. No. | |
| CAS No. | 196597-79-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C13H11NO |
| Molecular Weight | 197.233 |
| Exact Mass | 197.084 |
| XLogP3 | 2.47468 |
| Mr | 58.092 |
| PSA | 33.02 |
| Sequence | - |
| Atom number | 26 |
| Bond number | 28 |
| Ring number | 3 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | N#C/C=C/1\CCc2c1c1CCOc1cc2 |