Base information
| Cat. No. | |
| CAS No. | 1151666-45-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C21H21NO4 |
| Molecular Weight | 351.396 |
| Exact Mass | 351.147 |
| XLogP3 | 3.3003 |
| Mr | 100.396 |
| PSA | 57.53 |
| Sequence | - |
| Atom number | 47 |
| Bond number | 50 |
| Ring number | 4 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | CCCCn1c(=C2C(=O)OC(OC2=O)(C)C)c2c3c1cccc3ccc2 |
