Base information
| Cat. No. | |
| CAS No. | 2579-22-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H6O |
| Molecular Weight | 130.143 |
| Exact Mass | 130.042 |
| XLogP3 | 1.237 |
| Mr | 39.384 |
| PSA | 17.07 |
| Sequence | - |
| Atom number | 16 |
| Bond number | 16 |
| Ring number | 1 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | O=CC#Cc1ccccc1 |
