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Also known as: Hydrocinnamic acid, 3-phenylpropanoic acid, 501-52-0, Benzenepropanoic acid, Benzylacetic acid, Dihydrocinnamic acid
Molecular Formula
C9H10O2
Molecular Weight
150.17  g/mol
InChI Key
XMIIGOLPHOKFCH-UHFFFAOYSA-N
FDA UNII
5Q445IN5CU

CAS 501-52-0
3-phenylpropionic acid is a natural product found in Aloe africana, Hoya coronaria, and other organisms with data available.
1 2D Structure

CAS 501-52-0

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
3-phenylpropanoic acid
2.1.2 InChI
InChI=1S/C9H10O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)
2.1.3 InChI Key
XMIIGOLPHOKFCH-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC=C(C=C1)CCC(=O)O
2.2 Other Identifiers
2.2.1 UNII
5Q445IN5CU
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 3-phenyl Propionic Acid

2. 3-phenylpropanoic Acid

3. 3-phenylpropionate

4. 3-phenylpropionic Acid, Sodium Salt

5. Beta-phenylpropionate

6. Dihydrocinnamic Acid

7. Hydrocinnamic Acid

2.3.2 Depositor-Supplied Synonyms

1. Hydrocinnamic Acid

2. 3-phenylpropanoic Acid

3. 501-52-0

4. Benzenepropanoic Acid

5. Benzylacetic Acid

6. Dihydrocinnamic Acid

7. Benzenepropionic Acid

8. 3-phenyl Propionic Acid

9. Phenylpropanoic Acid

10. 3-phenyl-propionic Acid

11. Phenylpropanoate

12. Beta-phenylpropionic Acid

13. Phenylpropionic Acid

14. Phenyl Propionic Acid

15. Fema No. 2889

16. Nsc 9272

17. Mfcd00002771

18. 3-phenyl-n-propionic Acid

19. Chembl851

20. .beta.-phenylpropanoic Acid

21. .beta.-phenylpropionic Acid

22. 5q445in5cu

23. Chebi:28631

24. Hydrocinnamate

25. Nsc-9272

26. 3pp

27. Hydrocinnamic Acid (3-phenylpropanoic Acid)

28. 3-phenylpropionic Acid3-phenyl-propionic Acid

29. Hci

30. 3-phenylpropionic Acid;3-phenylpropanoic Acid;3-phenyl-n-propionic Acid

31. Beta-phenylpropionate

32. 3-phenylpropionicacid

33. Ccris 3199

34. 3-phenyl Propanoic Acid

35. Einecs 207-924-5

36. Brn 0907515

37. Unii-5q445in5cu

38. Hydrozimtsaeure

39. Dihydrocinnamate

40. Hydrocinnamicacid

41. Ai3-00892

42. Benzenepropionate

43. Hyrocinnamic Acid

44. B-phenylpropionate

45. W-phenylpropanoate

46. 1ahx

47. 1tog

48. 1toi

49. 1toj

50. 3-phenylpropionsaeure

51. Omega-phenylpropanoate

52. 3-phenylproionic Acid

53. B-phenylpropionic Acid

54. W-phenylpropanoic Acid

55. 3-phenyl-n-propionate

56. Beta-phenylpropioic Acid

57. 3-phenyl-propanoic Acid

58. Omega-phenylpropanoic Acid

59. Hydrocinnamic Acid, 99%

60. Bmse000675

61. I(2)-phenylpropionic Acid

62. Schembl3419

63. Dsstox_cid_27064

64. Dsstox_rid_82080

65. Dsstox_gsid_47064

66. 4-09-00-01752 (beilstein Handbook Reference)

67. Hydrocinnamic Acid [mi]

68. Dtxsid2047064

69. Nsc9272

70. Zinc154564

71. 3-phenylpropionic Acid, 99%, Fg

72. Amy39410

73. Hy-y1088

74. 3pp; 3-phenylpropionic Acid

75. Tox21_302329

76. Bbl011572

77. Bdbm50304072

78. S6254

79. Stk286011

80. 3-phenylpropionic Acid [fhfi]

81. Akos000119624

82. Bs-3829

83. Cs-w019781

84. Db02024

85. Hydrocinnamic Acid, Analytical Standard

86. Ncgc00256189-01

87. Bp-21020

88. Cas-501-52-0

89. Sy001654

90. Db-014319

91. Ft-0616346

92. H0183

93. 3-phenylpropanoic Acid;3-phenylpropionic Acid

94. C05629

95. A851541

96. Q4358522

97. W-105981

98. Z57127332

99. F2191-0065

100. E76d1f9d-cbb1-4b91-8949-75b4f6f4c481

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 150.17 g/mol
Molecular Formula C9H10O2
XLogP31.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass150.068079557 g/mol
Monoisotopic Mass150.068079557 g/mol
Topological Polar Surface Area37.3 Ų
Heavy Atom Count11
Formal Charge0
Complexity126
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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