Base information
| Cat. No. | |
| CAS No. | 53544-13-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H6NNaO3 |
| Molecular Weight | 163.107 |
| Exact Mass | 163.025 |
| XLogP3 | -0.15352 |
| Mr | 31.683 |
| PSA | 67.16 |
| Sequence | - |
| Atom number | 17 |
| Bond number | 15 |
| Ring number | 0 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | CCOC(=O)C(=O)[CH-]C#N.[Na+] |
