Base information
| Cat. No. | |
| CAS No. | 136309-07-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H5N3O |
| Molecular Weight | 135.123 |
| Exact Mass | 135.043 |
| XLogP3 | 0.35688 |
| Mr | 33.239 |
| PSA | 58.8 |
| Sequence | - |
| Atom number | 15 |
| Bond number | 15 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | COc1cncc(n1)C#N |
