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Overview of CAS 830-96-6

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4ejl
PharmaCompass
  • Chemistry
4ejl
Also known as: 830-96-6, Indole-3-propionic acid, 3-(1h-indol-3-yl)propanoic acid, 1h-indole-3-propanoic acid, Indolepropionic acid, Indolylpropionic acid
Molecular Formula
C11H11NO2
Molecular Weight
189.214  g/mol
InChI Key
GOLXRNDWAUTYKT-UHFFFAOYSA-N
FDA UNII
JF49U1Q7KN

1 2D Structure

4ejl

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
3-(1H-indol-3-yl)propanoic acid
2.1.2 InChI
InChI=1S/C11H11NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6H2,(H,13,14)
2.1.3 InChI Key
GOLXRNDWAUTYKT-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC=C2C(=C1)C(=CN2)CCC(=O)O
2.2 Other Identifiers
2.2.1 UNII
JF49U1Q7KN
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 830-96-6

2. Indole-3-propionic Acid

3. 3-(1h-indol-3-yl)propanoic Acid

4. 1h-indole-3-propanoic Acid

5. Indolepropionic Acid

6. Indolylpropionic Acid

7. 3-(3-indolyl)propionic Acid

8. 3-(3-indolyl)propanoic Acid

9. Ipa (auxin)

10. 1h-indole-3-propionic Acid

11. 3-(2-carboxyethyl)-1h-indole

12. 3-indolepropionicacid

13. Oxigon

14. 3-(3-indole)propionic Acid

15. Beta-(3-indolyl)propionic Acid

16. Beta-indolylpropionate

17. 3-(indol-3-yl)propionic Acid

18. Unii-jf49u1q7kn

19. 3-(1h-indol-3-yl)propionic Acid

20. Nsc 3252

21. 1h-indole-3-proponoic Acid

22. Nsc 47831

23. 3-(3-indolyl)-propionic Acid

24. Ccris 4424

25. Einecs 212-600-1

26. .beta.-indolepropionic Acid

27. Brn 0147733

28. Ai3-17433

29. .beta.-indole-3-propionic Acid

30. Chebi:43580

31. Golxrndwautykt-uhfffaoysa-n

32. .beta.-(3-indolyl)propionic Acid

33. Mfcd00005660

34. .beta.-indolylpropionate

35. 3-indol-3-ylpropanoic Acid

36. 3-(1h-indol-3-yl)propionate

37. Indole-3-propanoic Acid

38. B-indolepropionate

39. 4ejl

40. 3-indolepropionate

41. Indole-3-propionic

42. Beta-indolepropionate

43. 3-indolpropionic Acid

44. B-indolepropionic Acid

45. B-indole-3-propionate

46. Acid, 7

47. Pubchem16937

48. 3-indole Propionic Acid

49. 1h-indole-3-propionate

50. Beta-indolepropionic Acid

51. Ac1q5vxf

52. Indole-3-proprionic Acid

53. B-(3-indolyl)propionate

54. Beta-indole-3-propionate

55. Maybridge1_002431

56. 3-(3-indolyl)propanoate

57. 3-(3-indolyl)propionate

58. Acmc-209pr8

59. B-indole-3-propionic Acid

60. D00zyk

61. Ac1l1gm5

62. Beta-(3-indolyl)propionate

63. Jf49u1q7kn

64. Oprea1_071255

65. B-(3-indolyl)propionic Acid

66. Beta-indole-3-propionic Acid

67. 5-22-03-00114 (beilstein Handbook Reference)

68. Ksc448i1h

69. Bidd:gt0788

70. Divk1c_001183

71. Schembl195405

72. 3-(3-indole)-propionic Acid

73. 3-(indol-3-yl)propanoic Acid

74. Ac1q759g

75. Chembl207225

76. Gtpl4709

77. Ox-1

78. Schembl1767754

79. Zinc7700

80. Dtxsid7061192

81. Bdbm31879

82. Ctk3e8413

83. Hms548g11

84. Ks-00000cpi

85. Nsc3252

86. Molport-000-139-896

87. Bb_nc-0425

88. Beta-n-indole Propionic Acid

89. Hms3604i20

90. Act07008

91. Nsc-3252

92. Nsc47831

93. Anw-37650

94. Bbl001406

95. Nsc-47831

96. Sbb000276

97. Stk247053

98. 3-(1h-indol-3-yl)propanoic Acid #

99. Akos000120911

100. Ccg-115418

101. Cs-w015945

102. Db02758

103. Fs-3158

104. Mcule-4395981703

105. Rp03656

106. Rtr-030823

107. Sdccgmls-0065895.p001

108. Tra0081409

109. Cds1_000143

110. Ac-10570

111. Aj-08307

112. Ak-45554

113. An-47751

114. Bp-21044

115. Br-45554

116. Kb-27601

117. Ls-83368

118. Sy015400

119. Vp-20629

120. Db-011207

121. Indole-3-propionic Acid, >=97.0% (t)

122. Indole-3-propionic Acid, >=99.0% (t)

123. Tr-030823

124. 1-carboxy-2-(1h-indol-3-yl)ethyl

125. Am20060737

126. Bg00602555

127. Bg01508583

128. Bg01508584

129. Ft-0627221

130. I0032

131. St24028553

132. St45158860

133. 3-indolepropionic Acid, Reagentplus(r), 99%

134. A15833

135. I-4000

136. M-4816

137. Ab01333057-02

138. 830i966

139. I01-2964

140. J-650104

141. 3-indolepropionic Acid, Vetec(tm) Reagent Grade, 99%

142. F0849-0388

143. 65756-97-0

144. Inchi=1/c11h11no2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12h,5-6h2,(h,13,14

2.4 Create Date
2005-03-25
3 Chemical and Physical Properties
Molecular Weight 189.214 g/mol
Molecular Formula C11H11NO2
XLogP31.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass189.079 g/mol
Monoisotopic Mass189.079 g/mol
Topological Polar Surface Area53.1 A^2
Heavy Atom Count14
Formal Charge0
Complexity217
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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