Base information
| Cat. No. | |
| CAS No. | 634907-30-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H12N2O4 |
| Molecular Weight | 248.235 |
| Exact Mass | 248.08 |
| XLogP3 | -0.7057 |
| Mr | 64.2515 |
| PSA | 84.32 |
| Sequence | - |
| Atom number | 30 |
| Bond number | 31 |
| Ring number | 2 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | Cc1cn([C@@H]2O[C@@](C=C2)(CO)C#C)c(=O)[nH]c1=O |
