Base information
| Cat. No. | |
| CAS No. | 1514064-13-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H7N3O4 |
| Molecular Weight | 209.159 |
| Exact Mass | 209.044 |
| XLogP3 | -1.41872 |
| Mr | 48.1987 |
| PSA | 104.95 |
| Sequence | - |
| Atom number | 22 |
| Bond number | 22 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | COC(=O)Cn1cc(C#N)c(=O)[nH]c1=O |
