Base information
| Cat. No. | |
| CAS No. | 205688-52-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H6N2O3 |
| Molecular Weight | 178.145 |
| Exact Mass | 178.038 |
| XLogP3 | 0.6447 |
| Mr | 47.5091 |
| PSA | 89.09 |
| Sequence | - |
| Atom number | 19 |
| Bond number | 20 |
| Ring number | 2 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | O=c1oc(=O)c2c([nH]1)cccc2N |
