Base information
| Cat. No. | |
| CAS No. | 59643-91-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C4H5N3O |
| Molecular Weight | 111.102 |
| Exact Mass | 111.043 |
| XLogP3 | -0.7648 |
| Mr | 34.2324 |
| PSA | 58.46 |
| Sequence | - |
| Atom number | 13 |
| Bond number | 14 |
| Ring number | 2 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | NC1=NC(=O)N2C1C2 |
