Base information
| Cat. No. | |
| CAS No. | 6390-09-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H5NO3 |
| Molecular Weight | 163.13 |
| Exact Mass | 163.027 |
| XLogP3 | 0.5191 |
| Mr | 40.3995 |
| PSA | 64.1 |
| Sequence | - |
| Atom number | 17 |
| Bond number | 17 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | O=Cc1cc(C=O)nc(c1)C=O |
