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2D Structure
Also known as: 492-37-5, 2-phenylpropanoic acid, Hydratropic acid, Alpha-methylphenylacetic acid, Alpha-methylbenzeneacetic acid, Alpha-phenylpropionic acid
Molecular Formula
C9H10O2
Molecular Weight
150.17  g/mol
InChI Key
YPGCWEMNNLXISK-UHFFFAOYSA-N
FDA UNII
CH15E393A2

RN given refers to cpd without isomeric designation; structure
1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-phenylpropanoic acid
2.1.2 InChI
InChI=1S/C9H10O2/c1-7(9(10)11)8-5-3-2-4-6-8/h2-7H,1H3,(H,10,11)
2.1.3 InChI Key
YPGCWEMNNLXISK-UHFFFAOYSA-N
2.2 Other Identifiers
2.2.1 UNII
CH15E393A2
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Hydratropic Acid

2.3.2 Depositor-Supplied Synonyms

1. 492-37-5

2. 2-phenylpropanoic Acid

3. Hydratropic Acid

4. Alpha-methylphenylacetic Acid

5. Alpha-methylbenzeneacetic Acid

6. Alpha-phenylpropionic Acid

7. Chebi:48526

8. Ch15e393a2

9. Nsc-42872

10. Nsc-245033

11. Refchem:89100

12. Dtxcid20833771

13. Alpha-methyl-benzeneacetic Acid /od/ 2-phenylpropionic Acid

14. 207-752-0

15. Dtxsid90880934

16. Dl-2-phenylpropionic Acid

17. (+/-)-2-phenylpropionic Acid

18. 2-phenyl-propionic Acid

19. Mfcd00002650

20. (+/-)-2-phenylpropanoic Acid

21. 2-phenylpropionicacid

22. Benzeneacetic Acid, .alpha.-methyl-

23. Hydratropasaeure

24. (+/-)-hydratropic Acid

25. (r)-(-)-hydratropic Acid

26. .alpha.-methylphenylacetic Acid

27. .alpha.-methylbenzeneacetic Acid

28. (+-)-hydratropasaeure

29. (+-)-hydratropic Acid

30. 2-phenylpropionate

31. Alpha-phenylpropioic Acid

32. .alpha.-phenylpropionic Acid

33. Loxoprofen Impurity

34. A-methylbenzeneacetic Acid

35. Dl-?-phenylpropionic Acid

36. 2328-24-7

37. (s)-(+)-hydratropic Acid

38. 2-phenyl Propionic Acid

39. Unii-ch15e393a2

40. Benzeneacetic Acid, Alpha-methyl-

41. Dtxsid80862027

42. Einecs 207-752-0

43. Alpha-phenylpropioate

44. Nsc 42872

45. Benzeneacetic Acid, .alpha.-methyl-, (r)-

46. Benzeneacetic Acid, .alpha.-methyl-, (s)-

47. Dl-ppa

48. Loxoprofen Impurity 21

49. 2-phenyl Propanoic Acid

50. Propanoic Acid, 2-phenyl

51. Alpha-phenyl Propionic Acid

52. Propanoic Acid, 2-phenyl-

53. Schembl3418

54. (?)-2-phenylpropionic Acid

55. (rs)-2-phenylpropionic Acid

56. Schembl297972

57. Schembl727901

58. (+/-)2-phenylpropionic Acid

59. Racemic 2-phenylpropionic Acid

60. 2-phenylpropionic Acid, 97%

61. (rac.)-2-phenylpropionic Acid

62. Chembl370925

63. Schembl1156724

64. Schembl4016238

65. Schembl4781088

66. Schembl4807191

67. (+/-) 2-phenylpropionic Acid

68. Dl-.alpha.-phenylpropionic Acid

69. Schembl10411845

70. Ks-00000cgn

71. Ypgcwemnnlxisk-uhfffaoysa-

72. Bcp14307

73. Bcp16764

74. Nsc42872

75. Str03808

76. Msk165922

77. Nsc245032

78. Nsc245033

79. S6321

80. Sbb007855

81. Stl164373

82. Akos005206767

83. Ac-3206

84. Cs-w016324

85. Fp35013

86. Hy-w015608

87. Nsc 245033

88. Ps-4663

89. Tra0065143

90. Tra0075720

91. Tra0169485

92. Ak-42515

93. Ak-42526

94. Ak-50598

95. Pd099465

96. Sy004963

97. Hydratropic Acid [mesh: Hydratropic Acid]

98. Db-021501

99. Tc-069522

100. Am20040558

101. Ns00006882

102. P0699

103. St50824213

104. En300-69310

105. Sodium4-pyridinecarboxylatetetrahydrate

106. F13477

107. M-6378

108. 2-phenylpropionic Acid [mesh: Hydratropic Acid]

109. Racemic (+)-alpha-methyl-alpha-phenylacetic Acid

110. F093725

111. Q27121253

112. F0001-1284

113. Z756118128

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 150.17 g/mol
Molecular Formula C9H10O2
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass Da
Monoisotopic Mass Da
Topological Polar Surface Area37.3
Heavy Atom Count11
Formal Charge0
Complexity136
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1