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ACTIVE PHARMA INGREDIENTS

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Chemistry

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Also known as: 2295-58-1, 2',4',6'-trihydroxypropiophenone, Phloropropiophenone, Cospanon, Argobyl, 1-(2,4,6-trihydroxyphenyl)propan-1-one

Molecular Formula

C₉H₁₀O₄

Molecular Weight

182.17 g/mol

InChI Key

PTHLEKANMPKYDB-UHFFFAOYSA-N

FDA UNII

05V5NVB5Y1

1 2D Structure

Flopropione

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-(2,4,6-trihydroxyphenyl)propan-1-one

2.1.2 InChI

InChI=1S/C9H10O4/c1-2-6(11)9-7(12)3-5(10)4-8(9)13/h3-4,10,12-13H,2H2,1H3

2.1.3 InChI Key

PTHLEKANMPKYDB-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCC(=O)C1=C(C=C(C=C1O)O)O

2.2 Other Identifiers

2.2.1 UNII

05V5NVB5Y1

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 2,4,6-trihydroxypropiophenone

2. Thpp

2.3.2 Depositor-Supplied Synonyms

1. 2295-58-1

2. 2',4',6'-trihydroxypropiophenone

3. Phloropropiophenone

4. Cospanon

5. Argobyl

6. 1-(2,4,6-trihydroxyphenyl)propan-1-one

7. Phloropropionone

8. Propiophloroglucine

9. Flopropion

10. Chlonarin

11. Ecapron

12. Gasstenon

13. Labroda

14. Labrodax

15. Supanate

16. Supazlun

17. Labrodax Supanate

18. Propionylphloroglucinol

19. 1-propanone, 1-(2,4,6-trihydroxyphenyl)-

20. Ephtanon

21. 2,4,6-trihydroxypropiophenone

22. 1-(2,4,6-trihydroxyphenyl)-1-propanone

23. Rp 13907

24. Nsc 97909

25. 13907 R. P.

26. Propiophenone, 2',4',6'-trihydroxy-

27. Nsc-97909

28. 05v5nvb5y1

29. Ncgc00094817-01

30. Dsstox_cid_25851

31. Dsstox_rid_81173

32. Dsstox_gsid_45851

33. Flopropiona

34. Flopropionum

35. Profenon

36. Flopropionum [inn-latin]

37. Flopropiona [inn-spanish]

38. Cas-2295-58-1

39. Flopropione [inn:dcf:jan]

40. Einecs 218-942-8

41. Brn 2096799

42. Unii-05v5nvb5y1

43. Gallepronin

44. Flopion

45. Spamorin

46. Spasmoril

47. Pasmus

48. Ai3-36955

49. Phlopropiophenone

50. Ephtanon (tn)

51. Propanoyl-phloroglucinol

52. Spectrum_000563

53. Flopropione [mi]

54. 1-propanone,1-(2,4,6-trihydroxyphenyl)-

55. Spectrum2_000954

56. Spectrum3_000579

57. Spectrum4_000391

58. Spectrum5_001471

59. Flopropione [inn]

60. Flopropione [jan]

61. 13907 R.p.

62. Flopropione (jp17/inn)

63. 2,6-trihydroxypropiophenone

64. Flopropione [mart.]

65. Schembl26316

66. Bspbio_001998

67. Flopropione [who-dd]

68. Kbiogr_000941

69. Kbioss_001043

70. 3-08-00-03413 (beilstein Handbook Reference)

71. Divk1c_000482

72. Spectrum1500629

73. Spbio_000948

74. 2',6'-trihydroxypropiophenone

75. Zinc1454

76. Chembl1605835

77. Dtxsid3045851

78. Chebi:31614

79. Hms501i04

80. Kbio1_000482

81. Kbio2_001043

82. Kbio2_003611

83. Kbio2_006179

84. Kbio3_001498

85. Ninds_000482

86. Propiophenone,4',6'-trihydroxy-

87. Hms1921m05

88. Hms3652f21

89. Hms3885n13

90. Pharmakon1600-01500629

91. Nsc97909

92. Tox21_111340

93. Ccg-40074

94. Mfcd00016456

95. Nsc757392

96. S4249

97. Akos016357612

98. Tox21_111340_1

99. Cs-8184

100. Nsc-757392

101. Idi1_000482

102. Ncgc00094817-02

103. Ncgc00094817-03

104. Ncgc00094817-05

105. Ac-32766

106. Sbi-0051564.p002

107. Db-019834

108. Hy-100562

109. Ft-0609878

110. Sw219253-1

111. T0887

112. A16550

113. D01259

114. D83820

115. Ab00052131_02

116. A816445

117. Sr-01000872776

118. Q5460218

119. Sr-01000872776-1

120. 1-(2,4,6-trihydroxyphenyl)propan-1-one;flopropione

121. Brd-k43383936-001-02-9

2.4 Create Date

2005-03-25

3 Chemical and Physical Properties

Molecular Formula	C₉H₁₀O₄
Molecular Weight	182.17 g/mol
XLogP3	1.6
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	182.05790880 g/mol
Monoisotopic Mass	182.05790880 g/mol
Topological Polar Surface Area	77.8 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	180
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1