Base information
| Cat. No. | |
| CAS No. | 1429309-44-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H8N2O3 |
| Molecular Weight | 168.15 |
| Exact Mass | 168.053 |
| XLogP3 | -0.3456 |
| Mr | 41.3934 |
| PSA | 74.95 |
| Sequence | - |
| Atom number | 20 |
| Bond number | 21 |
| Ring number | 2 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | O=c1[nH]c(=O)c2c([nH]1)C(C)OC2 |
