Base information
| Cat. No. | |
| CAS No. | 4891-38-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C10H8O2 |
| Molecular Weight | 160.169 |
| Exact Mass | 160.052 |
| XLogP3 | 1.2111 |
| Mr | 45.276 |
| PSA | 26.3 |
| Sequence | - |
| Atom number | 20 |
| Bond number | 20 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | COC(=O)C#Cc1ccccc1 |
