CAS 623-43-8

Pfanstiehl, a global leader in the manufacture of cGMP high purity, low endotoxin, low metals (HPLE-LM)TM injectable grade excipients.

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Faran Shimi: Leading producer of high-quality APIs & alkaloid opiates, serving major pharmaceutical companies across the Middle East.

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Also known as: 623-43-8, Trans-methyl crotonate, (e)-methyl but-2-enoate, Methyl (e)-but-2-enoate, Methyl e-crotonate, Methyl trans-crotonate

Molecular Formula

C₅H₈O₂

Molecular Weight

100.12 g/mol

InChI Key

MCVVUJPXSBQTRZ-ONEGZZNKSA-N

FDA UNII

3T02JIH93S

1 2D Structure

CAS 623-43-8

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

methyl (E)-but-2-enoate

2.1.2 InChI

InChI=1S/C5H8O2/c1-3-4-5(6)7-2/h3-4H,1-2H3/b4-3+

2.1.3 InChI Key

MCVVUJPXSBQTRZ-ONEGZZNKSA-N

2.1.4 Canonical SMILES

CC=CC(=O)OC

2.1.5 Isomeric SMILES

C/C=C/C(=O)OC

2.2 Other Identifiers

2.2.1 UNII

3T02JIH93S

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 623-43-8

2. Trans-methyl Crotonate

3. (e)-methyl But-2-enoate

4. Methyl (e)-but-2-enoate

5. Methyl E-crotonate

6. Methyl Trans-crotonate

7. (e)-crotonic Acid Methyl Ester

8. Methyl Trans-2-butenoate

9. Trans-2-butenoic Acid Methyl Ester

10. 2-butenoic Acid, Methyl Ester, (2e)-

11. Methyl 2-butenoate

12. Methyl (e)-2-butenoate

13. 2-butenoic Acid, Methyl Ester, (e)-

14. Crotonic Acid, Methyl Ester

15. Methyl E-propene-1-carboxylate

16. 18707-60-3

17. (e)-2-butenoic Acid Methyl Ester

18. Crotonic Acid, Methyl Ester, (e)-

19. 2-butenoic Acid, Methyl Ester

20. Methyl-2-crotonate

21. Methyl (2e)-but-2-enoate

22. 3t02jih93s

23. Methylcrotonate

24. 1-(methoxycarbonyl)propene

25. Einecs 210-793-7

26. Mfcd00009287

27. Crotonic Acid Methyl Ester

28. Brn 1720292

29. Unii-3t02jih93s

30. Nsc-18745

31. Crotonic Acid Methyl

32. Einecs 242-517-6

33. Nsc 18745

34. Methyl T2 Butenoate

35. Ai3-06008

36. Methyl Crotonate, 98%

37. Methyl Crotonate, (e)-

38. Methyl 2-butenoate, (e)-

39. Schembl37099

40. 2-butenoic Acid Methyl Ester

41. Methyl (2e)-2-butenoate #

42. Chembl3273387

43. Schembl15460624

44. (e)-ch3ch=chc(o)och3

45. Dtxsid10878813

46. Methyl .alpha.-crotonate, Trans-

47. (e)-2-butenoic Acid-methyl Ester

48. Amy15442

49. Zinc1561844

50. (e)-but-2-enoic Acid Methyl Ester

51. Methyl Crotonate, Analytical Standard

52. Methyl Crotonate, 96%, Trans-isomer

53. Akos000121298

54. Cs-w020591

55. Crotonic Acid Methyl Ester [mi]

56. (2e)-2-butenoic Acid Methyl Ester

57. Db-030461

58. A833724

59. J-502052

60. Q1141622

61. F0001-1670

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₅H₈O₂
Molecular Weight	100.12 g/mol
XLogP3	0.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	100.052429494 g/mol
Monoisotopic Mass	100.052429494 g/mol
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	84.1
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

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