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(1S)-Cyclohex-3-Ene-1-Carboxylic Acid
PharmaCompass
(1S)-Cyclohex-3-Ene-1-Carboxylic Acid
Also known as: 5708-19-0, (s)-(-)-3-cyclohexenecarboxylic acid, (s)-cyclohex-3-enecarboxylic acid, (s)-3-naphthenic acid, (s)-(-)-3-cyclohexene-1-carboxylic acid, (s)-(+)-3-cyclohexenecarboxylic acid
Molecular Formula
C7H10O2
Molecular Weight
126.155  g/mol
InChI Key
VUSWCWPCANWBFG-ZCFIWIBFSA-N

1 2D Structure

(1S)-Cyclohex-3-Ene-1-Carboxylic Acid

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(1S)-cyclohex-3-ene-1-carboxylic acid
2.1.2 InChI
InChI=1S/C7H10O2/c8-7(9)6-4-2-1-3-5-6/h1-2,6H,3-5H2,(H,8,9)/t6-/m1/s1
2.1.3 InChI Key
VUSWCWPCANWBFG-ZCFIWIBFSA-N
2.1.4 Canonical SMILES
C1CC(CC=C1)C(=O)O
2.1.5 Isomeric SMILES
C1C[C@@H](CC=C1)C(=O)O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 5708-19-0

2. (s)-(-)-3-cyclohexenecarboxylic Acid

3. (s)-cyclohex-3-enecarboxylic Acid

4. (s)-3-naphthenic Acid

5. (s)-(-)-3-cyclohexene-1-carboxylic Acid

6. (s)-(+)-3-cyclohexenecarboxylic Acid

7. Ak130960

8. 3-cyclohexene-1-carboxylic Acid, (1s)-

9. (s)-(-)-1,2,3,6-tetrahydrobenzoic Acid

10. A1-01132

11. (1r)-3-cyclohexene-1-carboxylic Acid

12. (s)-(-)-cyclohex-3-enecarboxylic Acid

13. Ac1ofi2t

14. Schembl468425

15. Ctk1g8740

16. (s)-cyclohex-3-enecarboxylicacid

17. Molport-006-728-041

18. Molport-044-811-634

19. Vuswcwpcanwbfg-zcfiwibfsa-n

20. Act03213

21. Zinc4202671

22. 9066ah

23. Fch859133

24. Mfcd08275437

25. (s)-(-)-3-cyclohexenecarboxylicacid

26. (s)-3-cyclohexene-1-carboxylic Acid

27. Akos006287439

28. S)-(-)-3-cyclohexenecarboxylic Acid

29. (1s)-3-cyclohexene-1-carboxylic Acid

30. (s)-cyclohex-3-ene-1-carboxylic Acid

31. As04442

32. Cs-w018428

33. Ls00083

34. Pb18863

35. Aj-48481

36. En001165

37. Sc-92067

38. Db-072245

39. Kb-211687

40. Ft-0774177

41. Q-1341

42. 708n190

43. I14-8365

44. (1s)-cyclohex-3-ene-1-carboxylic Acid; (s)-(+)-3-cyclohexenecarboxylic Acid

45. (s)-(-)-3-cyclohexenecarboxylic Acid; (s)-cyclohex-3-enecarboxylic Acid

2.3 Create Date
2006-07-29
3 Chemical and Physical Properties
Molecular Weight 126.155 g/mol
Molecular Formula C7H10O2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass126.068 g/mol
Monoisotopic Mass126.068 g/mol
Topological Polar Surface Area37.3 A^2
Heavy Atom Count9
Formal Charge0
Complexity138
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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