Base information
| Cat. No. | |
| CAS No. | 20374-48-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C11H9NO2 |
| Molecular Weight | 187.195 |
| Exact Mass | 187.063 |
| XLogP3 | 1.98658 |
| Mr | 52.6338 |
| PSA | 61.09 |
| Sequence | - |
| Atom number | 23 |
| Bond number | 23 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | N#C/C(=C\c1ccc(cc1)C)/C(=O)O |
