Base information
| Cat. No. | |
| CAS No. | 52449-77-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C11H7NO |
| Molecular Weight | 169.179 |
| Exact Mass | 169.053 |
| XLogP3 | 2.41708 |
| Mr | 50.686 |
| PSA | 44.02 |
| Sequence | - |
| Atom number | 20 |
| Bond number | 21 |
| Ring number | 2 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | N#Cc1cc2ccccc2cc1O |
