Base information
| Cat. No. | |
| CAS No. | 71258-23-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7HD7O |
| Molecular Weight | 115.181 |
| Exact Mass | 115.101 |
| XLogP3 | 1.1789 |
| Mr | 32.5698 |
| PSA | 20.23 |
| Sequence | - |
| Atom number | 16 |
| Bond number | 16 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | [2H]c1c([2H])c([2H])c(c(c1[2H])[2H])C(O)([2H])[2H] |
