Base information
| Cat. No. | |
| CAS No. | 161489-04-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H6N2O |
| Molecular Weight | 134.135 |
| Exact Mass | 134.048 |
| XLogP3 | 0.4665 |
| Mr | 36.459 |
| PSA | 35.01 |
| Sequence | - |
| Atom number | 16 |
| Bond number | 16 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | COc1ccnc(n1)C#C |
