CAS 2033-24-1

Chemistry, 2 End Use API, 70 Related Intermediates

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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

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 Formula	C₆H₈O₄
Molecular Weight	144.12 g/mol
XLogP3	0.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	144.04225873 g/mol
Monoisotopic Mass	144.04225873 g/mol
Topological Polar Surface Area	52.6 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	164
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

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