Base information
| Cat. No. | |
| CAS No. | 1189954-79-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H5NO2 |
| Molecular Weight | 129.065 |
| Exact Mass | 129.052 |
| 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 | O[13C](=O)[13c]1[13cH][13cH][13cH]n[13cH]1 |
