Base information
| Cat. No. | |
| CAS No. | 80976-68-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C22H31NO4 |
| Molecular Weight | 373.486 |
| Exact Mass | 373.225 |
| XLogP3 | 3.3764 |
| Mr | 108.154 |
| PSA | 75.96 |
| Sequence | - |
| Atom number | 58 |
| Bond number | 59 |
| Ring number | 2 |
| Rotor number | 8 |
| Residues number | 0 |
| Canonical smiles | CC[N+](CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)(CC)[O-] |
