≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C#CC1CCC1 |
|---|---|
| IUPAC Name | ethynylcyclobutane |
| InChIKey | GAXSIWLVORHPTJ-UHFFFAOYSA-N |
| INCHI | 1S/C6H8/c1-2-6-4-3-5-6/h1,6H,3-5H2 |
| Isomeric SMILES | C#CC1CCC1 |
| Alternate CAS | 50786-62-4 |
| PubChem CID | 142749 |
| Molecular Weight | 80.13 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Acetylides |
| Class | Not available |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Acetylides |
| Alternative Parents | Unsaturated aliphatic hydrocarbons Acetylenes |
| Molecular Framework | Aliphatic homomonocyclic compounds |
| Substituents | Acetylide - Unsaturated aliphatic hydrocarbon - Unsaturated hydrocarbon - Acetylene - Hydrocarbon - Aliphatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as acetylides. These are compounds arising by replacement of one or both hydrogen atoms of acetylene (ethyne) by a metal or other cationic group. E.g. NaC#CH monosodium acetylide. By extension, analogous compounds derived from terminal acetylenes, RC#CH. The class is limited here to derivatives of acetylene where the hydrogen atom is replaced with an element with similar or lower electronegativity that carbon. |
| External Descriptors | Not available |
| Molecular Weight | 80.130 g/mol |
|---|---|
| XLogP3 | 2.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 0 |
| Exact Mass | 80.0626 Da |
| Monoisotopic Mass | 80.0626 Da |
| Topological Polar Surface Area | 0.000 Ų |
| Heavy Atom Count | 6 |
| Formal Charge | 0 |
| Complexity | 79.500 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
