Base information
| Cat. No. | |
| CAS No. | 3553-12-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C5H7N3O |
| Molecular Weight | 125.129 |
| Exact Mass | 125.059 |
| XLogP3 | 0.4411 |
| Mr | 32.9004 |
| PSA | 57.78 |
| Sequence | - |
| Atom number | 16 |
| Bond number | 16 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | CC(=O)Nc1cc[nH]n1 |
