Base information
| Cat. No. | |
| CAS No. | 58481-14-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H8N2O2 |
| Molecular Weight | 176.172 |
| Exact Mass | 176.059 |
| XLogP3 | 1.12998 |
| Mr | 45.0385 |
| PSA | 62.98 |
| Sequence | - |
| Atom number | 21 |
| Bond number | 21 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | CCOC(=O)c1ccnc(c1)C#N |
