Base information
| Cat. No. | |
| CAS No. | 7187-01-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H5NO |
| Molecular Weight | 119.121 |
| Exact Mass | 119.037 |
| XLogP3 | 1.81638 |
| Mr | 33.355 |
| PSA | 36.93 |
| Sequence | - |
| Atom number | 14 |
| Bond number | 14 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | N#C/C=C/c1ccco1 |
