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Overview of CAS 675-10-5

Client Email Product
4H-Pyran-4-one, 2-hydroxy-6-methyl-
PharmaCompass
  • Chemistry
4H-Pyran-4-one, 2-hydroxy-6-methyl-
Also known as: 675-10-5, 2-hydroxy-6-methyl-4h-pyran-4-one, 4-hydroxy-6-methyl-2h-pyran-2-one, 70254-61-4, Triacetic acid lactone, Triacetate lactone
Molecular Formula
C6H6O3
Molecular Weight
126.111  g/mol
InChI Key
NSYSSMYQPLSPOD-UHFFFAOYSA-N
FDA UNII
S1S883S4EE

1 2D Structure

4H-Pyran-4-one, 2-hydroxy-6-methyl-

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-hydroxy-6-methylpyran-2-one
2.1.2 InChI
InChI=1S/C6H6O3/c1-4-2-5(7)3-6(8)9-4/h2-3,7H,1H3
2.1.3 InChI Key
NSYSSMYQPLSPOD-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1=CC(=CC(=O)O1)O
2.2 Other Identifiers
2.2.1 UNII
S1S883S4EE
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 675-10-5

2. 2-hydroxy-6-methyl-4h-pyran-4-one

3. 4-hydroxy-6-methyl-2h-pyran-2-one

4. 70254-61-4

5. Triacetic Acid Lactone

6. Triacetate Lactone

7. 4-hydroxy-6-methylpyran-2-one

8. 2h-pyran-2-one, 4-hydroxy-6-methyl-

9. 6-methyl-4-hydroxypyron-(2)

10. Nsc 34625

11. 6-methyl-4-hydroxy-2-pyrone

12. Ccris 3600

13. 4-hydroxy-6-methylpyran-4-one

14. Einecs 211-619-2

15. Brn 0113815

16. Chembl54907

17. 2-hydroxy-6-methylpyran-4-one

18. Chebi:16458

19. Nsyssmyqplspod-uhfffaoysa-n

20. Unii-s1s883s4ee

21. Pubchem9569

22. Spectrum_001904

23. Specplus_000816

24. Spectrum2_001978

25. Spectrum3_001720

26. Spectrum4_001907

27. Spectrum5_000594

28. 4-hydroxy-6-methylpyrone

29. 6-methyl-4-hydroxypyrone

30. Acmc-1bi0s

31. 4-hydroxy-6-methyl-pyrone

32. 4-hydroxy-6-methylpyranone

33. 4-hydroxy-6-methyl Pyranone

34. Bspbio_003340

35. Kbiogr_002500

36. Kbioss_002438

37. 4-hydoxy-6-methyl-2-pyrone

38. Ksc356a1j

39. Divk1c_006912

40. Schembl320025

41. Schembl918518

42. Spectrum1600759

43. Spbio_002135

44. 4- Hydoxy-6-methyl-2-pyrone

45. S1s883s4ee

46. 4-hydroxy- 6-methyl-2-pyrone

47. 4-hydroxy-6 -methyl-2-pyrone

48. 4-hydroxy-6-methyl Pyr-2-one

49. 4-hydroxy-6-methyl-a-pyrone;

50. 6-methyl-4-hydroxypyran-2-one

51. Dtxsid1060974

52. Ctk2f6014

53. Ctk8c2277

54. Kbio1_001856

55. Kbio2_002432

56. Kbio2_005000

57. Kbio2_007568

58. Kbio3_002560

59. Ks-00000qid

60. 2-hydroxy-6-methyl-pyran-4-one

61. 4-hydroxy-6-methyl-pyran-2-one

62. 6-methyl-4-hydroxy Pyran-2-one

63. Molport-000-156-355

64. Molport-004-803-931

65. Ookczxgeypsnim-uhfffaoysa-n

66. Bb_nc-2010

67. 3,5-dihydroxysorbic Acid D-lactone

68. Ac1l2030

69. Albb-021321

70. Nsc34625

71. Zero/001810

72. Zinc4273393

73. 0884ac

74. Anw-35356

75. Anw-68127

76. Bbl008420

77. Bdbm50405204

78. Ccg-39516

79. Mfcd00006641

80. Mfcd18820248

81. Nsc-34625

82. Sbb001910

83. Stk772128

84. 4-hydroxy-6-methyl-2-oxo-2h-pyran

85. 4-hydroxy-6-methyl-2-pyrone, 98%

86. Akos000119605

87. Akos016007260

88. Zinc100045433

89. 3,5-dihydroxysorbic Acid Delta-lactone

90. Cs-w020045

91. Ls40924

92. Mcule-4178961944

93. Rp19667

94. Rtr-022673

95. Sdccgmls-0066925.p001

96. Tra0068312

97. Vz35471

98. 4-hydroxy-6-methyl-2-pyronone

99. 4h-pyran-4-one, 2-hydroxy-6-methyl-

100. Ncgc00095976-01

101. Ncgc00095976-02

102. Ncgc00178130-01

103. Ac-27196

104. Aj-50035

105. Ak-44057

106. Ak-80712

107. An-47181

108. Bc678859

109. Br-44057

110. Da-17115

111. H349

112. Kb-72555

113. Sc-53888

114. Ab0013001

115. Db-055039

116. Kb-230914

117. Ls-127456

118. St4083834

119. Tc-156872

120. Tl8004760

121. Tr-022673

122. Bg00600105

123. Bg01196574

124. Bg01496930

125. Ft-0618665

126. Ft-0715301

127. St24023568

128. 75h105

129. 7h-939

130. C02752

131. M-6213

132. 4h-pyran-4-one, 2-hydroxy-6-methyl- (9ci)

133. 102190-ep2281817a1

134. 102190-ep2301922a1

135. Sr-05000002374

136. I14-9760

137. Sr-05000002374-1

138. W-104713

139. Brd-k77202630-001-02-9

140. F0001-1779

141. Z1250100716

142. 3,5-dihydroxysorbic Acid

143. A-lactone;4-hydroxy-6-methyl-2-pyrone

144. Inchi=1/c6h6o3/c1-4-2-5(7)3-6(8)9-4/h2-3,7h,1h

2.4 Create Date
2011-12-26
3 Chemical and Physical Properties
Molecular Weight 126.111 g/mol
Molecular Formula C6H6O3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass126.032 g/mol
Monoisotopic Mass126.032 g/mol
Topological Polar Surface Area46.5 A^2
Heavy Atom Count9
Formal Charge0
Complexity200
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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