Base information
| Cat. No. | |
| CAS No. | 119389-05-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C16H8O3 |
| Molecular Weight | 248.233 |
| Exact Mass | 248.047 |
| XLogP3 | 2.397 |
| Mr | 68.61 |
| PSA | 43.37 |
| Sequence | - |
| Atom number | 27 |
| Bond number | 29 |
| Ring number | 3 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | O=C1OC(=O)c2c1cc(C#Cc1ccccc1)cc2 |