![4-Ethynyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one structure](/static/products/825/82508-64-3.png)
4-Ethynyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
4-ethynyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
Also Known As: 4-Ethynyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one|Bicyclo[2.2.1]heptan-2-one, 4-ethynyl-1,7,7-trimethyl-|Bicyclo[2.2.1]heptan-2-one,4-ethynyl-1,7,7-trimethyl|4-Ethynyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one #
CAS: 82508-64-3
| Molecular Formula | C12H16O |
|---|---|
| Molecular Weight | 176.12012 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 176.12012 |
| Monoisotopic Mass | 176.12012 |
| Heavy Atoms | 13 |
| Complexity | 330.0 |
Chemical Identifiers
| CAS Number | 82508-64-3 |
|---|---|
| SMILES | CC1(C2(CCC1(CC2=O)C#C)C)C |
| InChIKey | PNOWYPQBDXJGJI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Agrochemicals (6 patents)
Product Overview
4-Ethynyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one (CAS 82508-64-3), with molecular formula C12H16O and molecular weight 176.12012 g/mol. IUPAC: 4-ethynyl-1,7,7-trimethylbicyclo[2.2.1]heptan-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.
View MSDS →
4-Ethynyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one is a custom synthesis product. We offer services from milligram to kilogram scale.
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