Base information
| Cat. No. | |
| CAS No. | 70180-38-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H8ClNO4 |
| Molecular Weight | 217.606 |
| Exact Mass | 217.014 |
| XLogP3 | 0.9106 |
| Mr | 50.1822 |
| PSA | 79.39 |
| Sequence | - |
| Atom number | 22 |
| Bond number | 22 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | CCOC(=O)c1c(O)cc(=O)[nH]c1Cl |
