Base information
| Cat. No. | |
| CAS No. | 3621-36-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C20H20NO4+ |
| Molecular Weight | 338.377 |
| Exact Mass | 338.139 |
| XLogP3 | 3.0818 |
| Mr | 97.326 |
| PSA | 51.8 |
| Sequence | - |
| Atom number | 45 |
| Bond number | 48 |
| Ring number | 4 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | COc1cc2CC[n+]3c(-c2cc1O)cc1c(c3)c(OC)c(cc1)OC |
