Base information
| Cat. No. | |
| CAS No. | 80941-71-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H10N2O3 |
| Molecular Weight | 170.166 |
| Exact Mass | 170.069 |
| XLogP3 | -0.5139 |
| Mr | 40.4215 |
| PSA | 75.21 |
| Sequence | - |
| Atom number | 22 |
| Bond number | 22 |
| Ring number | 1 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | COC(=O)[C@H](Cc1cnc[nH]1)O |
