Base information
| Cat. No. | |
| CAS No. | 40172-95-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H12N2O2 |
| Molecular Weight | 180.204 |
| Exact Mass | 180.09 |
| XLogP3 | 0.5917 |
| Mr | 54.7372 |
| PSA | 45.48 |
| Sequence | - |
| Atom number | 25 |
| Bond number | 26 |
| Ring number | 2 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | O=C(c1ccco1)N1CCNCC1 |
