Base information
| Cat. No. | |
| CAS No. | 86604-78-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H13NO2 |
| Molecular Weight | 167.205 |
| Exact Mass | 167.095 |
| XLogP3 | 1.1993 |
| Mr | 46.7888 |
| PSA | 42.35 |
| Sequence | - |
| Atom number | 25 |
| Bond number | 25 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | COc1c(C)cnc(c1C)CO |
