CAS 19337-97-4

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2 End Use APIs
4 Related Intermediates

Chemistry

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Also known as: 19337-97-4, 1126-74-5, Trans-3-(3-pyridyl)acrylic acid, (e)-3-(pyridin-3-yl)acrylic acid, 3-(pyridin-3-yl)acrylic acid, 3-pyridineacrylic acid

Molecular Formula

C₈H₇NO₂

Molecular Weight

149.15 g/mol

InChI Key

VUVORVXMOLQFMO-ONEGZZNKSA-N

1 2D Structure

CAS 19337-97-4

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(E)-3-pyridin-3-ylprop-2-enoic acid

2.1.2 InChI

InChI=1S/C8H7NO2/c10-8(11)4-3-7-2-1-5-9-6-7/h1-6H,(H,10,11)/b4-3+

2.1.3 InChI Key

VUVORVXMOLQFMO-ONEGZZNKSA-N

2.1.4 Canonical SMILES

C1=CC(=CN=C1)C=CC(=O)O

2.1.5 Isomeric SMILES

C1=CC(=CN=C1)/C=C/C(=O)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 19337-97-4

2. 1126-74-5

3. Trans-3-(3-pyridyl)acrylic Acid

4. (e)-3-(pyridin-3-yl)acrylic Acid

5. 3-(pyridin-3-yl)acrylic Acid

6. 3-pyridineacrylic Acid

7. (2e)-3-pyridin-3-ylacrylic Acid

8. (e)-3-pyridin-3-ylprop-2-enoic Acid

9. (2e)-3-(3-pyridinyl)-2-propenoic Acid

10. (2e)-3-(pyridin-3-yl)prop-2-enoic Acid

11. 3-pyridinyl-acrylic Acid

12. (e)-3-(3-pyridyl)acrylic Acid

13. 3-(pyridin-3-yl)prop-2-enoic Acid

14. Mfcd00006410

15. 2-propenoic Acid, 3-(3-pyridinyl)-

16. 3-(3-pyridyl)propenoic Acid

17. Trans-3-pyridineacrylic Acid

18. Einecs 214-424-0

19. 2-propenoic Acid, 3-(3-pyridinyl)-, (2e)-

20. Mls000673854

21. Schembl334614

22. Chembl1771759

23. E-3-(3-pyridyl)propenoic Acid

24. Trans-3-(3-pyridyl)acrylicacid

25. .beta.-(3-pyridyl)acrylic Acid

26. Vuvorvxmolqfmo-onegzznksa-

27. Dtxsid701305000

28. Hms1648f01

29. Hms2744n23

30. Zinc266005

31. (e)-3-pyridin-3-yl-acrylic Acid

32. Trans-3-(3-pyridyl) Acrylic Acid

33. Trans-3-(3-pyridyl)-acrylic Acid

34. Act07844

35. Albb-007463

36. Baa12674

37. Bcp27261

38. Str09431

39. Stk500532

40. Akos000263332

41. Akos023552662

42. Ps-4718

43. (2e)-3-(3-pyridyl)-2-propenoic Acid

44. Ncgc00245962-01

45. Trans-3-(3-pyridyl)acrylic Acid, 99%

46. As-61731

47. Smr000315095

48. Cs-0031477

49. P1157

50. (2e)-3-(3-pyridinyl)-2-propenoic Acid #

51. En300-27847

52. W-206427

53. F0917-7548

54. Trans-3-(3-pyridyl)acrylic Acid, Purum, >=98.0% (t)

55. (e)-3-(pyridin-3-yl)acrylic Acid;3-(pyridin-3-yl)acrylic Acid

56. (2e)-3-pyridin-3-ylacrylic Acid; 3-pyridin-3-ylacrylic Acid; Trans-3-(3-pyridyl)acrylic Acid; Trans-3-(pyridin-3-yl)acrylic Acid;3-pyridinyl-acrylic Acid

2.3 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₈H₇NO₂
Molecular Weight	149.15 g/mol
XLogP3	0.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	149.047678466 g/mol
Monoisotopic Mass	149.047678466 g/mol
Topological Polar Surface Area	50.2 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	166
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1