Base information
| Cat. No. | |
| CAS No. | 7515-16-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C11H10O2 |
| Molecular Weight | 174.196 |
| Exact Mass | 174.068 |
| XLogP3 | 1.5195 |
| Mr | 50.242 |
| PSA | 26.3 |
| Sequence | - |
| Atom number | 23 |
| Bond number | 23 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | COC(=O)C#Cc1ccc(cc1)C |
