Base information
| Cat. No. | |
| CAS No. | 121513-38-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C18H11D5O3 |
| Molecular Weight | 285.349 |
| Exact Mass | 285.141 |
| XLogP3 | 4.0405 |
| Mr | 83.574 |
| PSA | 50.44 |
| Sequence | - |
| Atom number | 37 |
| Bond number | 39 |
| Ring number | 3 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | CCC(c1c(=O)oc2c(c1O)cccc2)c1c([2H])c([2H])c(c(c1[2H])[2H])[2H] |
