Base information
| Cat. No. | |
| CAS No. | 641615-34-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H11N3O |
| Molecular Weight | 177.203 |
| Exact Mass | 177.09 |
| XLogP3 | 0.7346 |
| Mr | 49.0695 |
| PSA | 46.09 |
| Sequence | - |
| Atom number | 24 |
| Bond number | 24 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | CN(/C=C/C(=O)c1cncnc1)C |
