2'-Methylacetophenone

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Also known as: 577-16-2, 2-methylacetophenone, 1-(o-tolyl)ethanone, 2-acetyltoluene, 1-(2-methylphenyl)ethanone, O-methylacetophenone

Molecular Formula

C₉H₁₀O

Molecular Weight

134.17 g/mol

InChI Key

YXWWHNCQZBVZPV-UHFFFAOYSA-N

FDA UNII

23O5EV975S

ethanone, 1-(2-methylphenyl)- is a natural product found in Averrhoa carambola, Gossypium hirsutum, and Homo sapiens with data available.

1 2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-(2-methylphenyl)ethanone

2.1.2 InChI

InChI=1S/C9H10O/c1-7-5-3-4-6-9(7)8(2)10/h3-6H,1-2H3

2.1.3 InChI Key

YXWWHNCQZBVZPV-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=CC=CC=C1C(=O)C

2.2 Other Identifiers

2.2.1 UNII

23O5EV975S

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 577-16-2

2. 2-methylacetophenone

3. 1-(o-tolyl)ethanone

4. 2-acetyltoluene

5. 1-(2-methylphenyl)ethanone

6. O-methylacetophenone

7. O-acetyltoluene

8. 2'-methylacetylphenone

9. Ethanone, 1-(2-methylphenyl)-

10. Methyl O-tolyl Ketone

11. Acetophenone, 2'-methyl-

12. 1-(methylphenyl)ethan-1-one

13. 1-(2-methylphenyl)ethan-1-one

14. 1-o-tolylethanone

15. Methyl 2-methylphenyl Ketone

16. 1-o-tolyl-ethanone

17. O-methyl Acetophenone

18. 26444-19-9

19. Ortho-methylacetophenone

20. 2'-methyl-acetophenone

21. 1-(2-tolyl)ethanone

22. Nsc 84233

23. 23o5ev975s

24. Mfcd00008734

25. Nsc-84233

26. Unii-23o5ev975s

27. Methyl Tolyl Ketone

28. Nsc84233

29. Einecs 209-408-5

30. Einecs 247-691-7

31. 1-(o-tolyl)-ethanone

32. 2\'-methylacetophenone

33. Ortho-methyl Acetophenone

34. Ortho-methylphenylethanone

35. 1-(methylphenyl)-ethanone

36. 1-(o-tolyl)ethan-1-one

37. 2?-methylacetophenone

38. 1-(2-methylphenyl)-ethanone

39. 2'-methylacetophenone, 98%

40. Schembl112406

41. 1-(2-methyl-phenyl)-ethanone

42. Ortho Methyl Acetophenone

43. Fema No. 4316

44. 2'-methylacetophenone, >=98%

45. Chebi:145958

46. Dtxsid501015360

47. Acetophenone, 2'-methyl- (8ci)

48. 2-methylacetophenone [fhfi]

49. Act07828

50. Str03226

51. Zinc1736725

52. 2-methylphenyl Methyl Ketone

53. Ac7820

54. Stl146529

55. Akos000120656

56. Cs-w013374

57. Hy-w012658

58. Ethanone, 1-(2-methylphenyl)- (9ci)

59. Ac-15885

60. Sy002283

61. Db-014153

62. Am20040758

63. Ft-0613001

64. M0172

65. 2 Inverted Exclamation Mark -methylacetophenone

66. W-105445

67. 2'-methylacetophenone, Vetec(tm) Reagent Grade, 98%

68. Q27253770

69. F0001-1503

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₉H₁₀O
Molecular Weight	134.17 g/mol
XLogP3	2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	134.073164938 g/mol
Monoisotopic Mass	134.073164938 g/mol
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	129
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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