Base information
| Cat. No. | |
| CAS No. | 79887-09-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H14 |
| Molecular Weight | 158.24 |
| Exact Mass | 158.11 |
| XLogP3 | 3.0105 |
| Mr | 53.764 |
| PSA | 0 |
| Sequence | - |
| Atom number | 26 |
| Bond number | 26 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | CCCCc1ccc(cc1)C#C |
