Base information
| Cat. No. | |
| CAS No. | 136902-63-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C21H19NO5 |
| Molecular Weight | 365.379 |
| Exact Mass | 365.126 |
| XLogP3 | 3.66568 |
| Mr | 98.7025 |
| PSA | 85.62 |
| Sequence | - |
| Atom number | 46 |
| Bond number | 47 |
| Ring number | 2 |
| Rotor number | 11 |
| Residues number | 0 |
| Canonical smiles | C=CC(=O)OCCCCOc1ccc(cc1)C(=O)Oc1ccc(cc1)C#N |
