Base information
| Cat. No. | |
| CAS No. | 170859-72-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C10H7NO |
| Molecular Weight | 157.169 |
| Exact Mass | 157.053 |
| XLogP3 | 0.90208 |
| Mr | 45.0608 |
| PSA | 44.02 |
| Sequence | - |
| Atom number | 19 |
| Bond number | 19 |
| Ring number | 1 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | OCC#Cc1cccc(c1)C#N |
