Base information
| Cat. No. | |
| CAS No. | 111230-59-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C5H6ClNO4 |
| Molecular Weight | 179.558 |
| Exact Mass | 178.999 |
| XLogP3 | -0.1187 |
| Mr | 37.6868 |
| PSA | 75.96 |
| Sequence | - |
| Atom number | 17 |
| Bond number | 16 |
| Ring number | 0 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | CO/N=C(/C(=O)CCl)\C(=O)O |
