Base information
| Cat. No. | |
| CAS No. | 169253-31-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H5NO3 |
| Molecular Weight | 139.109 |
| Exact Mass | 139.027 |
| XLogP3 | -0.5659 |
| Mr | 37.3508 |
| PSA | 66.73 |
| Sequence | - |
| Atom number | 15 |
| Bond number | 15 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | O=C1N=CC=C(C1)C(=O)O |
