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CAS 10544-63-5
PharmaCompass
  • Chemistry
CAS 10544-63-5
Also known as: 623-70-1, Ethyl trans-crotonate, Ethyl (e)-but-2-enoate, Ethyl trans-2-butenoate, Crotonic acid, ethyl ester, 2-butenoic acid, ethyl ester, (2e)-
Molecular Formula
C6H10O2
Molecular Weight
114.144  g/mol
InChI Key
ZFDIRQKJPRINOQ-HWKANZROSA-N
FDA UNII
99YUC7A1X1

1 2D Structure

CAS 10544-63-5

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
ethyl (E)-but-2-enoate
2.1.2 InChI
InChI=1S/C6H10O2/c1-3-5-6(7)8-4-2/h3,5H,4H2,1-2H3/b5-3+
2.1.3 InChI Key
ZFDIRQKJPRINOQ-HWKANZROSA-N
2.1.4 Canonical SMILES
CCOC(=O)C=CC
2.1.5 Isomeric SMILES
CCOC(=O)/C=C/C
2.2 Other Identifiers
2.2.1 UNII
99YUC7A1X1
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 623-70-1

2. Ethyl Trans-crotonate

3. Ethyl (e)-but-2-enoate

4. Ethyl Trans-2-butenoate

5. Crotonic Acid, Ethyl Ester

6. 2-butenoic Acid, Ethyl Ester, (2e)-

7. Ethyl (e)-2-butenoate

8. 2-butenoic Acid, Ethyl Ester

9. Ethyl (2e)-but-2-enoate

10. Crotonic Acid, Ethyl Ester, (e)-

11. 2-butenoic Acid, Ethyl Ester, (e)-

12. Ethyl (e)-crotonate

13. Crotonic Acid Ethyl Ester

14. Trans-2-butenoic Acid Ethyl Ester

15. (e)-ethyl But-2-enoate

16. Crotonate D'ethyle, (e)-

17. Ethyl 2-butenoate

18. Ethyl 2-butenoate, (e)-

19. Unii-99yuc7a1x1

20. 10544-63-5

21. Fema No. 3486

22. Ethyl Crotonate (e)

23. Nsc 4778

24. Einecs 210-808-7

25. Einecs 234-125-9

26. Un1862

27. Ethylester Kyseliny Krotonove [czech]

28. Alpha-crotonic Acid Ethyl Ester, (e)-

29. Brn 0635834

30. Brn 1720418

31. Ai3-05622

32. (e)-2-butenoic Acid Ethyl Ester

33. Zfdirqkjprinoq-hwkanzrosa-n

34. (e)-but-2-enoic Acid Ethyl Ester

35. Ethyl (2e)but-2-enoate

36. Ethylester Kyseliny Krotonove

37. Ethylcrotonate

38. Ethyl (2e)-2-butenoate

39. (e)-ch3ch=chcooc2h5

40. Nsc4778

41. Zfdirqkjprinoq-uhfffaoysa-n

42. Crotonic Acid Ethyl

43. Trans-ethylcrotonate

44. Ethyl Trans Crotonate

45. (e)-ethyl Crotonate

46. 2-butenoic Acid, Ethyl Ester, (e)- (9ci)

47. Ethyl Crotonate [un1862] [flammable Liquid]

48. Ethyl Crotonate, 96%

49. Ethyl Crotonate, 99%

50. Crotonate D'ethyle, E-

51. Ethyl (e)-2-crotonate

52. Ac1l8mpr

53. Crotonic-acid-ethyl-ester

54. Un 1862 (related)

55. 2-butenoic Acid, Ethylester

56. Schembl24483

57. Ethyl (2e)-2-butenoate #

58. 99yuc7a1x1

59. Chembl3273403

60. Molport-001-784-290

61. Molport-011-006-365

62. Bb_nc-2193

63. Ac1q3271

64. Ebd16485

65. Zinc1680395

66. Bbl027753

67. Mfcd00009289

68. Sbb061219

69. Stl146343

70. Akos005721070

71. Ls-2717

72. Rp19130

73. Rtr-037318

74. Ethyl Trans-2-butenoate, >=96%, Fg

75. 77825-56-0

76. Ak175895

77. An-18312

78. Cj-06263

79. Kb-51535

80. Ls-55564

81. Sc-27410

82. .alpha.-crotonic Acid Ethyl Ester, Trans-

83. Ab1003255

84. Db-029759

85. Db-040631

86. Tl8004131

87. Tr-037318

88. Tx-017607

89. Bg00599954

90. Ft-0625771

91. Ft-0686368

92. St51047264

93. Ethyl Crotonate [un1862] [flammable Liquid]

94. Ethyl Trans-2-butenoate, Natural, >=97%, Fg

95. A833743

96. I14-1488

97. I14-4793

98. I14-7609

99. J-502032

100. Inchi=1/c6h10o2/c1-3-5-6(7)8-4-2/h3,5h,4h2,1-2h3/b5-3

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 114.144 g/mol
Molecular Formula C6H10O2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass114.068 g/mol
Monoisotopic Mass114.068 g/mol
Topological Polar Surface Area26.3 A^2
Heavy Atom Count8
Formal Charge0
Complexity94.7
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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