Base information
| Cat. No. | |
| CAS No. | 52867-35-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C4H6N2O |
| Molecular Weight | 98.1032 |
| Exact Mass | 98.048 |
| XLogP3 | -0.2866 |
| Mr | 26.3147 |
| PSA | 37.79 |
| Sequence | - |
| Atom number | 13 |
| Bond number | 13 |
| Ring number | 1 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | Cn1ccc(=O)[nH]1 |
