Base information
| Cat. No. | |
| CAS No. | 42821-92-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H6N2O4 |
| Molecular Weight | 170.123 |
| Exact Mass | 170.033 |
| XLogP3 | -1.1502 |
| Mr | 38.9629 |
| PSA | 92.02 |
| Sequence | - |
| Atom number | 18 |
| Bond number | 18 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | COC(=O)c1c[nH]c(=O)[nH]c1=O |
