CAS 675-10-5

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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, 4-hydroxy-6-methylpyran-2-one, Triacetic acid lactone

Molecular Formula

C₆H₆O₃

Molecular Weight

126.11 g/mol

InChI Key

NSYSSMYQPLSPOD-UHFFFAOYSA-N

FDA UNII

S1S883S4EE

4-Hydroxy-6-methyl-2-pyrone is a metabolite found in the aging mouse brain.

1 2D Structure

CAS 675-10-5

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 MeSH Synonyms

1. Triacetic Acid Lactone

2.3.2 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. 4-hydroxy-6-methylpyran-2-one

6. Triacetic Acid Lactone

7. Triacetate Lactone

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

9. 6-methyl-4-hydroxypyron-(2)

10. Nsc 34625

11. Mfcd00006641

12. Chembl54907

13. S1s883s4ee

14. 6-methyl-4-hydroxypyran-2-one

15. Chebi:16458

16. 6-methyl-4-oxidanyl-pyran-2-one

17. Nsc-34625

18. 3,5-dihydroxysorbic Acid Delta-lactone

19. 6-methyl-4-hydroxy-2-pyrone

20. 4-hydroxy-6-methylpyran-4-one

21. Ccris 3600

22. Einecs 211-619-2

23. Brn 0113815

24. Unii-s1s883s4ee

25. 4h-pyran-4-one, 2-hydroxy-6-methyl-

26. Spectrum_001904

27. Specplus_000816

28. Spectrum2_001978

29. Spectrum3_001720

30. Spectrum4_001907

31. Spectrum5_000594

32. 4-hydroxy-6-methylpyrone

33. 6-methyl-4-hydroxypyrone

34. 4-hydroxy-6-methyl-pyrone

35. 4-hydroxy-6-methylpyranone

36. 4-hydroxy-6-methyl Pyranone

37. Bspbio_003340

38. Kbiogr_002500

39. Kbioss_002438

40. 4-hydoxy-6-methyl-2-pyrone

41. Divk1c_006912

42. Schembl320025

43. Schembl918518

44. Spectrum1600759

45. Spbio_002135

46. 4- Hydoxy-6-methyl-2-pyrone

47. 4-hydroxy- 6-methyl-2-pyrone

48. 4-hydroxy-6 -methyl-2-pyrone

49. 4-hydroxy-6-methyl Pyr-2-one

50. Dtxsid1060974

51. Kbio1_001856

52. Kbio2_002432

53. Kbio2_005000

54. Kbio2_007568

55. Kbio3_002560

56. 4-hydroxy-6-methyl-pyran-2-one

57. 6-methyl-4-hydroxy Pyran-2-one

58. 3,5-dihydroxysorbic Acid D-lactone

59. Albb-021321

60. Amy23278

61. Nsc34625

62. Zinc4273393

63. Bbl008420

64. Bdbm50405204

65. Ccg-39516

66. Mfcd18820248

67. Stk772128

68. 4-hydroxy-6-methyl-2-pyrone, 98%

69. Akos000119605

70. Akos016007260

71. Zinc100045433

72. Cs-w020045

73. Sdccgmls-0066925.p001

74. Ncgc00095976-01

75. Ncgc00095976-02

76. Ncgc00178130-01

77. Ac-27196

78. Da-17115

79. Sy001948

80. 4-hydroxy-6-methyl-.alpha.-pyrone

81. Db-055039

82. Cs-0061284

83. Ft-0618665

84. Ft-0715301

85. H0715

86. 75h105

87. 7h-939

88. C02752

89. F14831

90. O10801

91. A866649

92. Sr-05000002374

93. Q7839869

94. Sr-05000002374-1

95. W-104713

96. Brd-k77202630-001-02-9

97. Brd-k77202630-001-03-7

98. Sorbic Acid, 3,5-dihydroxy-, .delta.-lactone

99. F0001-1779

100. Z1250100716

101. Kj6

2.4 Create Date

2011-12-26

3 Chemical and Physical Properties

Molecular Formula	C₆H₆O₃
Molecular Weight	126.11 g/mol
XLogP3	0.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	126.031694049 g/mol
Monoisotopic Mass	126.031694049 g/mol
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	200
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