Base information
| Cat. No. | |
| CAS No. | 4622-04-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H2N2O2 |
| Molecular Weight | 158.114 |
| Exact Mass | 158.012 |
| XLogP3 | 0.03816 |
| Mr | 37.406 |
| PSA | 81.72 |
| Sequence | - |
| Atom number | 14 |
| Bond number | 14 |
| Ring number | 1 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | N#CC1=C(C#N)C(=O)C=CC1=O |
