CAS 6746-94-7

1 2D Structure

CAS 6746-94-7

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 Formula	C₅H₆
Molecular Weight	66.10 g/mol
XLogP3	1.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	66.0469501914 g/mol
Monoisotopic Mass	66.0469501914 g/mol
Topological Polar Surface Area	0 Å²
Heavy Atom Count	5
Formal Charge	0
Complexity	69.3
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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