CAS 29668-44-8

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Also known as: 29668-44-8, 1,4-benzodioxan-6-carbaldehyde, 2,3-dihydro-1,4-benzodioxine-6-carbaldehyde, 2,3-dihydrobenzo[b][1,4]dioxine-6-carbaldehyde, 1,4-benzodioxane-6-carboxaldehyde, 3,4-ethylenedioxybenzaldehyde

Molecular Formula

C₉H₈O₃

Molecular Weight

164.16 g/mol

InChI Key

CWKXDPPQCVWXAG-UHFFFAOYSA-N

FDA UNII

92TK3MD2XP

1 2D Structure

CAS 29668-44-8

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2,3-dihydro-1,4-benzodioxine-6-carbaldehyde

2.1.2 InChI

InChI=1S/C9H8O3/c10-6-7-1-2-8-9(5-7)12-4-3-11-8/h1-2,5-6H,3-4H2

2.1.3 InChI Key

CWKXDPPQCVWXAG-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1COC2=C(O1)C=CC(=C2)C=O

2.2 Other Identifiers

2.2.1 UNII

92TK3MD2XP

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 29668-44-8

2. 1,4-benzodioxan-6-carbaldehyde

3. 2,3-dihydro-1,4-benzodioxine-6-carbaldehyde

4. 2,3-dihydrobenzo[b][1,4]dioxine-6-carbaldehyde

5. 1,4-benzodioxane-6-carboxaldehyde

6. 3,4-ethylenedioxybenzaldehyde

7. 1,4-benzodioxin-6-carboxaldehyde, 2,3-dihydro-

8. 2,3-dihydro-1,4-benzodioxin-6-carbaldehyde

9. Mfcd00010092

10. 1,4-benzodioxane-6-aldehyde

11. 1,4-benzodioxane-6-carbaldehyde

12. 2,3-dihydro-benzo[1,4]dioxin-6-carbaldehyde

13. 2,3-dihydro-benzo[1,4]dioxine-6-carbaldehyde

14. 2,3-dihydro-1,4-benzodioxin-6-carboxaldehyde

15. 2,3-dihydrobenzo[1,4]dioxine-6-carboxaldehyde

16. 2,3-dihydro-benzo{1,4]dioxine-6-carbaldehyde

17. 2,3-dihydro-benzo{1,4}dioxine-6-carbaldehyde

18. 7-formyl-1,4-benzodioxane

19. Nsc64681

20. 2,3-dihydrobenzo[1,4]dioxine-6-carbaldehyde

21. 3,4ethylenedioxybenzaldehyde

22. 6-formyl-1,4-benzodioxane

23. 1,4-benzodioxan-6-aldehyde

24. Schembl210494

25. Schembl606484

26. Dtxsid00952131

27. Chebi:137382

28. Albb-023646

29. Bcp00672

30. Cs-d1456

31. Zinc3882306

32. Benzo[1,4]dioxane-6-carboxaldehyde

33. Nsc-64681

34. Stk709243

35. Akos000271225

36. Ds-1527

37. Sb17756

38. Wt82272

39. 1,4-benzodioxan-7-formaldehyde

40. Benzo[e]-1,4-dioxane-6-carboxaldehyde

41. Upcmld0enat5258616:001

42. 1,4-benzodioxan-6-carboxaldehyde, 98%

43. Ac-22889

44. Sy001133

45. Db-000882

46. Am20040122

47. Ft-0609635

48. 2,3-dihydro-1,4-benzodioxan-6-carboxaldehyde

49. 2,3-dihydrobenzo[1,4]dioxin-6-carboxaldehyde

50. 2,3-dihydro-1,4-benzodioxin-6-aldehyde

51. 2,3-dihydro-1,4-benzodioxine-6-carbaldehyde #

52. 2,3-dihydro-benzo[1,4]-dioxine-6-carbaldehyde

53. 2,3-dihydro-benzo[1,4]dioxin-6-carboxaldehyde

54. 2,3-dihydro-benzo[1,4]dioxine-6-carboxaldehyde

55. 2,3-dihydrobenzo(b)(1,4)dioxin-6-carbaldehyde

56. 2,3- Dihydro-benzo[1,4]-dioxine-6-carbaldehyde

57. 2,3-dihydrobenzo [b][1,4]dioxine-6-carbaldehyde

58. 2t-0607

59. Ar-360/40172602

60. Q-103527

61. F0266-2975

62. 2,3-dihydrobenzo(b)(1,4)dioxin-6-carboxaldehyde

63. 1,4-benzodioxane-6-aldehyde/2,3-dihydro-1,4-benzodioxan-6-carboxaldehyde

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₉H₈O₃
Molecular Weight	164.16 g/mol
XLogP3	1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	164.047344113 g/mol
Monoisotopic Mass	164.047344113 g/mol
Topological Polar Surface Area	35.5 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	169
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