Base information
| Cat. No. | |
| CAS No. | 29805-11-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H7ClO |
| Molecular Weight | 166.604 |
| Exact Mass | 166.019 |
| XLogP3 | 2.0066 |
| Mr | 45.3558 |
| PSA | 20.23 |
| Sequence | - |
| Atom number | 18 |
| Bond number | 18 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | OC(c1ccc(cc1)Cl)C#C |
