Base information
| Cat. No. | |
| CAS No. | 1190309-91-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H5N3O |
| Molecular Weight | 171.155 |
| Exact Mass | 171.043 |
| XLogP3 | 1.24708 |
| Mr | 46.1962 |
| PSA | 69.54 |
| Sequence | - |
| Atom number | 18 |
| Bond number | 19 |
| Ring number | 2 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | O=Cc1c[nH]c2c1ccnc2C#N |
