Base information
| Cat. No. | |
| CAS No. | 637-44-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H6O2 |
| Molecular Weight | 146.143 |
| Exact Mass | 146.037 |
| XLogP3 | 1.1227 |
| Mr | 40.9558 |
| PSA | 37.3 |
| Sequence | - |
| Atom number | 17 |
| Bond number | 17 |
| Ring number | 1 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | OC(=O)C#Cc1ccccc1 |
