Base information
| Cat. No. | |
| CAS No. | 52600-50-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H8N2O4 |
| Molecular Weight | 208.171 |
| Exact Mass | 208.048 |
| XLogP3 | 0.12888 |
| Mr | 49.8872 |
| PSA | 103.18 |
| Sequence | - |
| Atom number | 23 |
| Bond number | 23 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | CCOC(=O)c1cc(C#N)c(=O)[nH]c1O |
