Base information
| Cat. No. | |
| CAS No. | 7085-85-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H7NO2 |
| Molecular Weight | 125.125 |
| Exact Mass | 125.048 |
| XLogP3 | 0.62928 |
| Mr | 31.516 |
| PSA | 50.09 |
| Sequence | - |
| Atom number | 16 |
| Bond number | 15 |
| Ring number | 0 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | CCOC(=O)C(=C)C#N |
