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2D Structure
Also known as: Ethynylcyclopropane, 6746-94-7, Cyclopropyl acetylene, Cyclopropane, ethynyl-, Ethynyl cyclopropane, Cyclopropane,ethynyl-
Molecular Formula
C5H6
Molecular Weight
66.10  g/mol
InChI Key
NPTDXPDGUHAFKC-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
ethynylcyclopropane
2.1.2 InChI
InChI=1S/C5H6/c1-2-5-3-4-5/h1,5H,3-4H2
2.1.3 InChI Key
NPTDXPDGUHAFKC-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C#CC1CC1
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. Ethynylcyclopropane

2. 6746-94-7

3. Cyclopropyl Acetylene

4. Cyclopropane, Ethynyl-

5. Ethynyl Cyclopropane

6. Cyclopropane,ethynyl-

7. Cyclopropylethyne; Ethyne, Cyclopropyl-; Ethynylcyclopropane

8. Cyclopropylethyne

9. Cyclopropyl Ethyne

10. Cyclopropyacetylene

11. Ethynyl-cyclopropane

12. Ethynylcyclo-propane

13. Cyclopropylacethylene

14. Cyclopropyl-acetylene

15. Mfcd02181090

16. Ethynylcyclopropane #

17. Ec 425-430-1

18. Cyclopropylacetylene Solution

19. Cyclopropylacetylene, Neat, 97%

20. Dtxsid80217795

21. Act02754

22. Bcp22444

23. Zinc1433340

24. Akos007930096

25. Db-055034

26. Am20100625

27. C1984

28. Ft-0636251

29. F15427

30. A835763

31. Cyclopropylacetylene Solution, 70 Wt. % In Toluene

32. Q-200911

33. Q13506985

2.3 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 66.10 g/mol
Molecular Formula C5H6
XLogP31.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass66.0469501914 g/mol
Monoisotopic Mass66.0469501914 g/mol
Topological Polar Surface Area0 Ų
Heavy Atom Count5
Formal Charge0
Complexity69.3
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1