Base information
| Cat. No. | |
| CAS No. | 691900-59-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H7N3O |
| Molecular Weight | 173.171 |
| Exact Mass | 173.059 |
| XLogP3 | 1.44318 |
| Mr | 47.3007 |
| PSA | 61.7 |
| Sequence | - |
| Atom number | 20 |
| Bond number | 21 |
| Ring number | 2 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | COc1ccc2c(c1)[nH]nc2C#N |
