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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

CAS 2033-24-1
1 2D Structure

CAS 2033-24-1

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

BUILDING BLOCK

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