Base information
| Cat. No. | |
| CAS No. | 28711-29-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C4H5N3O2 |
| Molecular Weight | 127.101 |
| Exact Mass | 127.038 |
| XLogP3 | -0.6373 |
| Mr | 27.8628 |
| PSA | 68.01 |
| Sequence | - |
| Atom number | 14 |
| Bond number | 14 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | OC(=O)Cn1cncn1 |
