Base information
| Cat. No. | |
| CAS No. | 3399-56-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C13H11N3O2 |
| Molecular Weight | 241.245 |
| Exact Mass | 241.085 |
| XLogP3 | 1.92068 |
| Mr | 64.3655 |
| PSA | 67.91 |
| Sequence | - |
| Atom number | 29 |
| Bond number | 30 |
| Ring number | 2 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | CCOC(=O)c1nn(c(c1)C#N)c1ccccc1 |
