Base information
| Cat. No. | |
| CAS No. | 111376-39-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C10H9NO |
| Molecular Weight | 159.185 |
| Exact Mass | 159.068 |
| XLogP3 | 1.68978 |
| Mr | 45.937 |
| PSA | 40.86 |
| Sequence | - |
| Atom number | 21 |
| Bond number | 21 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | O=CCCc1cccc(c1)C#N |
