Base information
| Cat. No. | |
| CAS No. | 2972-82-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C11H6N2O2 |
| Molecular Weight | 198.178 |
| Exact Mass | 198.043 |
| XLogP3 | 1.84586 |
| Mr | 51.708 |
| PSA | 66.04 |
| Sequence | - |
| Atom number | 21 |
| Bond number | 22 |
| Ring number | 2 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | N#CC(=Cc1ccc2c(c1)OCO2)C#N |
