Base information
| Cat. No. | |
| CAS No. | 1245648-71-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C11H8N2O2 |
| Molecular Weight | 200.193 |
| Exact Mass | 200.059 |
| XLogP3 | 1.82618 |
| Mr | 54.2932 |
| PSA | 65.88 |
| Sequence | - |
| Atom number | 23 |
| Bond number | 24 |
| Ring number | 2 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | COC(=O)c1cc2c([nH]1)ccc(c2)C#N |
