Base information
| Cat. No. | |
| CAS No. | 82104-74-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H5NO2 |
| Molecular Weight | 159.141 |
| Exact Mass | 159.032 |
| XLogP3 | 1.22868 |
| Mr | 40.4815 |
| PSA | 50.09 |
| Sequence | - |
| Atom number | 17 |
| Bond number | 18 |
| Ring number | 2 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | N#Cc1ccc2c(c1)COC2=O |
