Base information
| Cat. No. | |
| CAS No. | 478171-80-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C11D8O2 |
| Molecular Weight | 180.229 |
| Exact Mass | 180.103 |
| XLogP3 | 2.0119 |
| Mr | 49.05 |
| PSA | 34.14 |
| Sequence | - |
| Atom number | 21 |
| Bond number | 22 |
| Ring number | 2 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | [2H]c1c([2H])c([2H])c2c(c1[2H])C(=O)C(=C(C2=O)[2H])C([2H])([2H])[2H] |
