Base information
| Cat. No. | |
| CAS No. | 3688-65-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C18H21NO4 |
| Molecular Weight | 315.364 |
| Exact Mass | 315.147 |
| XLogP3 | 1.4725 |
| Mr | 90.1068 |
| PSA | 68.12 |
| Sequence | - |
| Atom number | 44 |
| Bond number | 48 |
| Ring number | 5 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | COc1ccc2c3c1O[C@@H]1[C@@]43CC[N+]([C@H](C2)[C@@H]4C=C[C@@H]1O)([O-])C |
