Base information
| Cat. No. | |
| CAS No. | 74131-06-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H14N2O7 |
| Molecular Weight | 298.249 |
| Exact Mass | 298.08 |
| XLogP3 | -1.7249 |
| Mr | 69.7771 |
| PSA | 141.85 |
| Sequence | - |
| Atom number | 35 |
| Bond number | 36 |
| Ring number | 2 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | OC[C@H]1O[C@H](C[C@@H]1O)n1cc(/C=C/C(=O)O)c(=O)[nH]c1=O |
