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2D Structure
Also known as: 2033-24-1, Meldrum's acid, Isopropylidene malonate, Meldrums acid, 1,3-dioxane-4,6-dione, 2,2-dimethyl-, 2,2-dimethyl-1,3-dioxan-4,6-dione
Molecular Formula
C6H8O4
Molecular Weight
144.12  g/mol
InChI Key
GXHFUVWIGNLZSC-UHFFFAOYSA-N
FDA UNII
DD139RP1SC

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2,2-dimethyl-1,3-dioxane-4,6-dione
2.1.2 InChI
InChI=1S/C6H8O4/c1-6(2)9-4(7)3-5(8)10-6/h3H2,1-2H3
2.1.3 InChI Key
GXHFUVWIGNLZSC-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1(OC(=O)CC(=O)O1)C
2.2 Other Identifiers
2.2.1 UNII
DD139RP1SC
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Cyclic Isopropylidene Malonate

2. Meldrum's Acid

2.3.2 Depositor-Supplied Synonyms

1. 2033-24-1

2. Meldrum's Acid

3. Isopropylidene Malonate

4. Meldrums Acid

5. 1,3-dioxane-4,6-dione, 2,2-dimethyl-

6. 2,2-dimethyl-1,3-dioxan-4,6-dione

7. Malonic Acid Cyclic Isopropylidene Ester

8. Cyclic Isopropylidene Malonate

9. Malonic Acid, Cyclic Isopropylidene Ester

10. Cycl-isopropylidene Malonate

11. 2,2-dimethyl-m-dioxane-4,6-dione

12. Mfcd00006638

13. Nsc 71902

14. 2,2-dimethyl-4,6-dioxo-m-dioxane

15. Ai3-39039

16. M-dioxane-4,6-dione, 2,2-dimethyl-

17. 2,2-dimethyl-4,6-dioxo-1,3-dioxane

18. Dd139rp1sc

19. Nsc-71902

20. Nsc688343

21. Nsc-688343

22. 2,2-dimethyl-[1,3]dioxane-4,6-dione

23. Sub-isopropyl Malonate

24. Meldrumic Acid

25. Meldrum Acid

26. Einecs 217-992-8

27. Unii-dd139rp1sc

28. Brn 0117310

29. Meidrum's Acid

30. Meldrum\'s Acid

31. 2,6-dione

32. 2,2-propanediol Cyclic Malonate

33. Meldrum Inverted Exclamation Mark S Acid

34. Meldrum?s Acid-13c

35. 2,6-dioxo-m-dioxane

36. Iso-propylidene Malonate

37. Ec 217-992-8

38. Schembl5976

39. Meldrum's Acid [mi]

40. 5-19-05-00008 (beilstein Handbook Reference)

41. 1,6-dione, 2,2-dimethyl-

42. M-dioxane-4, 2,2-dimethyl-

43. Dtxsid7051846

44. Act03379

45. Albb-013484

46. Cs-d1154

47. Dimethyl-[1,3]dioxane-4,6-dione

48. Nsc71902

49. Str00259

50. Zinc1697324

51. Cx1199

52. Stk397458

53. 2,2-dimethyl-1,3-dioxane-4,6dione

54. 2,2-dimethyl-1,3-dioxane4,6-dione

55. 2,2dimethyl-1,3-dioxane-4,6-dione

56. Akos000119035

57. Ab00787

58. Ac-2044

59. 2,2 Dimethyl-1,3 Dioxane-4,6 Dione

60. 2.2-dimethyl-1,3-dioxane-4,6-dione

61. 4,6-diketo-2,2-dimethyl-1,3-dioxane

62. 2.2-dimethyl-[1,3]dioxane-4,6-dione

63. Sy001708

64. 2, 2-dimethyl-1,3-dioxane-4, 6-dione

65. 2,2-dimethyl-[1,3]-dioxan-4,6-dione

66. 2,2-dimethyl-[1,3]-dioxane-4,6-dione

67. Am20090153

68. Bb 0262989

69. Ft-0627487

70. Ft-0670985

71. M0799

72. 2,2-dimethyl-1,3-dioxane-4,6-dione, 98%

73. 33d241

74. Q421283

75. W-107630

76. F3096-1700

77. Z1258943352

78. Malonic Acid Cyclic Isopropylidene Ester, Meldrum's Acid, Cycl-isopropylidene Malonate

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 144.12 g/mol
Molecular Formula C6H8O4
XLogP30.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass144.04225873 g/mol
Monoisotopic Mass144.04225873 g/mol
Topological Polar Surface Area52.6 Ų
Heavy Atom Count10
Formal Charge0
Complexity164
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1