Base information
| Cat. No. | |
| CAS No. | 13726-17-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H9ClO2 |
| Molecular Weight | 172.609 |
| Exact Mass | 172.029 |
| XLogP3 | 1.8409 |
| Mr | 44.0718 |
| PSA | 29.46 |
| Sequence | - |
| Atom number | 20 |
| Bond number | 20 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | COc1cc(CO)ccc1Cl |
