Base information
| Cat. No. | |
| CAS No. | 115871-50-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C5HD9O2 |
| Molecular Weight | 111.187 |
| Exact Mass | 111.125 |
| XLogP3 | 1.2612 |
| Mr | 27.9208 |
| PSA | 37.3 |
| Sequence | - |
| Atom number | 17 |
| Bond number | 16 |
| Ring number | 0 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | OC(=O)C(C(C(C([2H])([2H])[2H])([2H])[2H])([2H])[2H])([2H])[2H] |
