2-Hexanone-1,1,1,3,3-d5
1,1,1,3,3-pentadeuteriohexan-2-one
Also Known As: 2-Hexanone-1,1,1,3,3-d5|Propylacetone|1,1,1,3,3-pentadeuteriohexan-2-one|2-Hexanone, 1,1,1,3,3-d5-|(1,1,1,3,3-~2~H_5_)Hexan-2-one
CAS: 4840-82-8
| Molecular Formula | C6H12O |
|---|---|
| Molecular Weight | 105.1202 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 105.1202 |
| Monoisotopic Mass | 105.1202 |
| Heavy Atoms | 7 |
| Complexity | 57.0 |
Chemical Identifiers
| CAS Number | 4840-82-8 |
|---|---|
| SMILES | [2H]C([2H])([2H])C(=O)C([2H])([2H])CCC |
| InChIKey | QQZOPKMRPOGIEB-ZTIZGVCASA-N |
Product Overview
2-Hexanone-1,1,1,3,3-d5 (CAS 4840-82-8), with molecular formula C6H12O and molecular weight 105.1202 g/mol. IUPAC: 1,1,1,3,3-pentadeuteriohexan-2-one.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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