Base information
| Cat. No. | |
| CAS No. | 5434-21-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H7NO4 |
| Molecular Weight | 181.145 |
| Exact Mass | 181.038 |
| XLogP3 | 1.2464 |
| Mr | 44.765 |
| PSA | 100.62 |
| Sequence | - |
| Atom number | 20 |
| Bond number | 20 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | Nc1ccc(c(c1)C(=O)O)C(=O)O |
