Base information
| Cat. No. | |
| CAS No. | 55-22-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H5NO2 |
| Molecular Weight | 123.109 |
| Exact Mass | 123.032 |
| XLogP3 | 0.7798 |
| Mr | 31.1963 |
| PSA | 50.19 |
| Sequence | - |
| Atom number | 14 |
| Bond number | 14 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | OC(=O)c1ccncc1 |
