CAS 1131-62-0

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Also known as: 1131-62-0, 1-(3,4-dimethoxyphenyl)ethanone, 3,4-dimethoxyacetophenone, Acetoveratrone, Ethanone, 1-(3,4-dimethoxyphenyl)-, 3,4-dimethoxyphenyl methyl ketone

Molecular Formula

C₁₀H₁₂O₃

Molecular Weight

180.20 g/mol

InChI Key

IQZLUWLMQNGTIW-UHFFFAOYSA-N

FDA UNII

5RV6436S8A

3',4'-Dimethoxyacetophenone is a natural product found in Diospyros maritima, Vincetoxicum paniculatum, and Iris pallida with data available.

1 2D Structure

CAS 1131-62-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-(3,4-dimethoxyphenyl)ethanone

2.1.2 InChI

InChI=1S/C10H12O3/c1-7(11)8-4-5-9(12-2)10(6-8)13-3/h4-6H,1-3H3

2.1.3 InChI Key

IQZLUWLMQNGTIW-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(=O)C1=CC(=C(C=C1)OC)OC

2.2 Other Identifiers

2.2.1 UNII

5RV6436S8A

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 1131-62-0

2. 1-(3,4-dimethoxyphenyl)ethanone

3. 3,4-dimethoxyacetophenone

4. Acetoveratrone

5. Ethanone, 1-(3,4-dimethoxyphenyl)-

6. 3,4-dimethoxyphenyl Methyl Ketone

7. 1-(3,4-dimethoxyphenyl)ethan-1-one

8. Acetophenone, 3',4'-dimethoxy-

9. 4-acetylveratrole

10. Mfcd00008737

11. 5rv6436s8a

12. Nsc-16944

13. Nsc-18708

14. Acetophenone,4'-dimethoxy-

15. Ethanone,4-dimethoxyphenyl)-

16. Nsc 18708

17. Unii-5rv6436s8a

18. Einecs 214-468-0

19. Nsc 16944

20. Ai3-11163

21. 3,4-dimethoxyphenylacetal

22. Bmse010033

23. 3, 4-dimethoxyacetophenone

24. 3,4-dimethoxy Acetophenone

25. Schembl76834

26. 3',4'-dimethyoxyacetophenone

27. 3,'-4'-dimethoxyacetophenone

28. Chembl4218890

29. Dtxsid4061549

30. Chebi:86576

31. 1-(3,4-dimethoxyphenyl)-ethanone

32. Nsc16944

33. Nsc18708

34. Str01828

35. 3?,4?-dimethoxyacetophenone

36. 1-(3,4-dimethoxy-phenyl)-ethanone

37. 1-(3,4-dimethoxyphenyl)ethanone #

38. 3',4'-dimethoxyacetophenone, 98%

39. Ac7907

40. Stk399977

41. 1-(3,4-dimethoxyphenyl)-1-ethanone

42. Akos000120461

43. Am10708

44. Cs-w005151

45. Gf-0115

46. 3',4'-dimethoxyacetophenone, >=98%

47. 1-(4,5-dimethoxyphenyl)ethanone

48. Ac-15467

49. Sy015105

50. Db-041153

51. D1878

52. Ns00010736

53. En300-16176

54. 3',4'-dimethoxyacetophenone, Analytical Standard

55. 4'-hydroxy-3'-methoxyacetophenone, Methyl Ether

56. A802955

57. Aq-917/40710349

58. Q222993

59. W-108624

60. 3',4'-dimethoxyacetophenone, Purum, >=97.0% (gc)

61. Z54182939

62. F0191-0032

63. 3 Inverted Exclamation Mark ,4 Inverted Exclamation Mark -dimethoxyacetophenone

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₁₂O₃
Molecular Weight	180.20 g/mol
XLogP3	1.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	35.5
Heavy Atom Count	13
Formal Charge	0
Complexity	179
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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