Base information
| Cat. No. | |
| CAS No. | 766-97-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H8 |
| Molecular Weight | 116.16 |
| Exact Mass | 116.063 |
| XLogP3 | 1.9763 |
| Mr | 39.343 |
| PSA | 0 |
| Sequence | - |
| Atom number | 17 |
| Bond number | 17 |
| Ring number | 1 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | C#Cc1ccc(cc1)C |
