Base information
| Cat. No. | |
| CAS No. | 60469-86-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H4N2O2 |
| Molecular Weight | 172.14 |
| Exact Mass | 172.027 |
| XLogP3 | 1.12816 |
| Mr | 42.8313 |
| PSA | 84.88 |
| Sequence | - |
| Atom number | 17 |
| Bond number | 17 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | N#Cc1cc(ccc1C#N)C(=O)O |
