Base information
| Cat. No. | |
| CAS No. | 79887-10-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C13H16 |
| Molecular Weight | 172.266 |
| Exact Mass | 172.125 |
| XLogP3 | 3.4006 |
| Mr | 58.571 |
| PSA | 0 |
| Sequence | - |
| Atom number | 29 |
| Bond number | 29 |
| Ring number | 1 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | CCCCCc1ccc(cc1)C#C |
