Base information
| Cat. No. | |
| CAS No. | 50743-32-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C13H11NO2 |
| Molecular Weight | 213.232 |
| Exact Mass | 213.079 |
| XLogP3 | 2.78808 |
| Mr | 61.779 |
| PSA | 54 |
| Sequence | - |
| Atom number | 27 |
| Bond number | 28 |
| Ring number | 2 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | N#Cc1coc2c(c1=O)cc(cc2)C(C)C |
