Base information
| Cat. No. | |
| CAS No. | 16837-38-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H8N2O3 |
| Molecular Weight | 228.204 |
| Exact Mass | 228.053 |
| XLogP3 | 1.4738 |
| Mr | 58.22 |
| PSA | 69.15 |
| Sequence | - |
| Atom number | 25 |
| Bond number | 26 |
| Ring number | 2 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | O=C(c1cccnc1)OC(=O)c1cccnc1 |
