CAS 70-70-2

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Also known as: 4'-hydroxypropiophenone, 70-70-2, 4-hydroxypropiophenone, 1-(4-hydroxyphenyl)propan-1-one, P-hydroxypropiophenone, Mepal

Molecular Formula

C₉H₁₀O₂

Molecular Weight

150.17 g/mol

InChI Key

RARSHUDCJQSEFJ-UHFFFAOYSA-N

FDA UNII

X9952001TG

mepal is a natural product found in Carya cathayensis, Hydnocarpus annamensis, and Plumeria rubra with data available.

1 2D Structure

CAS 70-70-2

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-(4-hydroxyphenyl)propan-1-one

2.1.2 InChI

InChI=1S/C9H10O2/c1-2-9(11)7-3-5-8(10)6-4-7/h3-6,10H,2H2,1H3

2.1.3 InChI Key

RARSHUDCJQSEFJ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCC(=O)C1=CC=C(C=C1)O

2.2 Other Identifiers

2.2.1 UNII

X9952001TG

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 4-hydroxypropiophenone

2. P-hydroxypropiophenone

3. Para-hydroxypropiophenone

2.3.2 Depositor-Supplied Synonyms

1. 4'-hydroxypropiophenone

2. 70-70-2

3. 4-hydroxypropiophenone

4. 1-(4-hydroxyphenyl)propan-1-one

5. P-hydroxypropiophenone

6. Mepal

7. Paroxypropion

8. Frenantol

9. Frenohypon

10. Profenone

11. Proxiphenon

12. Paroxon

13. P-propiophenol

14. P-propionylphenol

15. 1-propanone, 1-(4-hydroxyphenyl)-

16. Hypophenon

17. Possipione

18. Sterofenon

19. Frenormon

20. Hypostat

21. Ibiopopp

22. Frenon

23. Bio-fren

24. 4-propionylphenol

25. P-oxypropiophenone

26. 1-(4-hydroxyphenyl)-1-propanone

27. Paraoxypropiophenone

28. Usaf Ek-3302

29. P-hydroxyphenyl-1-propanone

30. Ethyl P-hydroxyphenyl Ketone

31. H 365

32. H-365

33. 1-(p-hydroxyphenyl)-1-propanone

34. Propiophenone, 4'-hydroxy-

35. 1-(4-hydroxy-phenyl)-propan-1-one

36. B-360

37. Nsc-2834

38. B 360

39. Mfcd00002361

40. Mls000069406

41. Chembl312311

42. Chebi:32352

43. X9952001tg

44. Paroxypropione (inn)

45. Ncgc00018097-04

46. Ncgc00018097-06

47. Smr000059092

48. Dsstox_cid_3426

49. Wln: Qr Dv2

50. Dsstox_rid_77023

51. Paroxypropione [inn]

52. Dsstox_gsid_23426

53. P-hydroxypropiophenone (jan)

54. Parossipropione

55. Paroxypropionum

56. Paroxipropiona

57. Possipion

58. Parossipropione [dcit]

59. P-hydroxypropiophenone [jan]

60. Paroxypropione [inn:dcf]

61. Cas-70-70-2

62. Paroxypropionum [inn-latin]

63. Paroxipropiona [inn-spanish]

64. Para-hydroxypropiophenone

65. Nsc 2834

66. Einecs 200-743-2

67. Brn 0907511

68. Ai3-03719

69. P.o.p.

70. Unii-x9952001tg

71. 4-propanoylphenol

72. P-hydroxypropiophenon

73. Vanatone

74. 4-hydroxypropiophenon

75. 4-hydroxy Propiophenone

76. 4`-hydroxypropiophenone

77. 4'-hydroxy-propiophenone

78. 4''-hydroxypropiophenone

79. Opera_id_1001

80. Paroxypropione [mi]

81. Ethyl 4-hydroxyphenyl Ketone

82. 4-08-00-00441 (beilstein Handbook Reference)

83. Chlorhexidinedigluconate

84. Schembl440470

85. 4?-hydroxypropiophenone

86. Paroxypropione [mart.]

87. 4'-hydroxypropiophenone, 98%

88. F1995-0235

89. Zinc1890

90. Paroxypropione [who-dd]

91. Dtxsid8023426

92. Nsc2834

93. Hms2235g15

94. Hms3264a14

95. Hms3372e08

96. Pharmakon1600-01506169

97. 1-(4-hydroxyphenyl)-propan-1-one

98. Bcp26379

99. Hy-b1353

100. Nsc33949

101. Tox21_110822

102. Ac7855

103. Bbl011845

104. Bdbm50177402

105. Nsc-33949

106. Nsc760386

107. S5396

108. Stk397478

109. Akos000120374

110. Tox21_110822_1

111. Ccg-214030

112. Cs-7973

113. Nsc-760386

114. Ncgc00018097-01

115. Ncgc00018097-02

116. Ncgc00018097-03

117. Ncgc00018097-05

118. Ncgc00022475-03

119. Ncgc00022475-04

120. Ac-10985

121. As-12055

122. Sy003666

123. Ft-0618741

124. H0299

125. D01870

126. 4 Inverted Exclamation Mark -hydroxypropiophenone

127. Ab00384258_14

128. Af-676/00077028

129. Sr-01000002967

130. Sr-01000002967-2

131. W-104544

132. Brd-k07441213-001-14-8

133. Q19598411

134. Z1250132262

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₉H₁₀O₂
Molecular Weight	150.17 g/mol
XLogP3	2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	150.068079557 g/mol
Monoisotopic Mass	150.068079557 g/mol
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	135
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