Base information
| Cat. No. | |
| CAS No. | 106824-45-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C13H14O |
| Molecular Weight | 186.25 |
| Exact Mass | 186.104 |
| XLogP3 | 3.0408 |
| Mr | 58.9925 |
| PSA | 17.07 |
| Sequence | - |
| Atom number | 28 |
| Bond number | 28 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | CCCCC#Cc1ccccc1C=O |
