Base information
| Cat. No. | |
| CAS No. | 129042-89-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H12N2O2 |
| Molecular Weight | 180.204 |
| Exact Mass | 180.09 |
| XLogP3 | 1.3448 |
| Mr | 47.6164 |
| PSA | 65.21 |
| Sequence | - |
| Atom number | 25 |
| Bond number | 25 |
| Ring number | 1 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | COC(=O)CC(c1cccnc1)N |
