CAS 5063-03-6

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6 Related Intermediates

Chemistry

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Also known as: 5063-03-6, 5-acetyl-2-norbornene, 1-(bicyclo[2.2.1]hept-5-en-2-yl)ethanone, Methyl 5-norbornen-2-yl ketone, 5-acetylbicyclo[2.2.1]hept-2-ene, Ethanone, 1-bicyclo[2.2.1]hept-5-en-2-yl-

Molecular Formula

C₉H₁₂O

Molecular Weight

136.19 g/mol

InChI Key

NIMLCWCLVJRPFY-UHFFFAOYSA-N

1 2D Structure

CAS 5063-03-6

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-(2-bicyclo[2.2.1]hept-5-enyl)ethanone

2.1.2 InChI

InChI=1S/C9H12O/c1-6(10)9-5-7-2-3-8(9)4-7/h2-3,7-9H,4-5H2,1H3

2.1.3 InChI Key

NIMLCWCLVJRPFY-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(=O)C1CC2CC1C=C2

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 5063-03-6

2. 5-acetyl-2-norbornene

3. 1-(bicyclo[2.2.1]hept-5-en-2-yl)ethanone

4. Methyl 5-norbornen-2-yl Ketone

5. 5-acetylbicyclo[2.2.1]hept-2-ene

6. Ethanone, 1-bicyclo[2.2.1]hept-5-en-2-yl-

7. 1-(2-bicyclo[2.2.1]hept-5-enyl)ethanone

8. 1-{bicyclo[2.2.1]hept-5-en-2-yl}ethan-1-one

9. Mfcd00167570

10. 5-acetylnorbornene

11. Methyl (8,9,10-trinorborn-5-en-2-yl) Ketone

12. 2-acetyl-5-norbornene, Mixture Of Endo And Exo

13. 1-[(1r,2r,4r)-bicyclo[2.2.1]hept-5-en-2-yl]ethan-1-one

14. Schembl301403

15. Nimlcwclvjrpfy-uhfffaoysa-

16. Dtxsid50964865

17. Amy32005

18. Einecs 225-767-0

19. Stl363939

20. Akos000121432

21. Akos016347360

22. Akos025243982

23. Ac-4859

24. As-49964

25. Bicyclo[2.2.1]hept-2-ene, 5-acetyl-

26. Bicyclo[2.2.1]hept-5-ene, 2-acetyl-

27. Sy015353

28. 1-bicyclo[2.2.1]hept-5-en-2-ylethanone

29. Db-020334

30. 1-(6-bicyclo[2.2.1]hept-2-enyl)ethanone

31. Ft-0619931

32. 1-bicyclo[2.2.1]hept-5-en-2-ylethanone #

33. O10317

34. Ethanone, 1-[bicyclo[2.2.1]hept-5-en-2-yl]-

35. J-650008

36. J-650394

37. F0001-1321

2.3 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₉H₁₂O
Molecular Weight	136.19 g/mol
XLogP3	1.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	136.088815002 g/mol
Monoisotopic Mass	136.088815002 g/mol
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	193
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1