Base information
| Cat. No. | |
| CAS No. | 68217-29-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H5N3O2 |
| Molecular Weight | 223.187 |
| Exact Mass | 223.038 |
| XLogP3 | 1.57276 |
| Mr | 57.7594 |
| PSA | 107.74 |
| Sequence | - |
| Atom number | 22 |
| Bond number | 23 |
| Ring number | 2 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | N#CC1=C(C#N)C(=O)c2c(C1=O)c(N)ccc2 |
