CAS 1192-62-7

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2 Intermediates

2 Intermediates

Chemistry

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Also known as: 1192-62-7, 1-(furan-2-yl)ethanone, Acetylfuran, 2-furyl methyl ketone, 2-acetyl furan, Methyl 2-furyl ketone

Molecular Formula

C₆H₆O₂

Molecular Weight

110.11 g/mol

InChI Key

IEMMBWWQXVXBEU-UHFFFAOYSA-N

FDA UNII

Q5ZRP80K02

acetylfuran is a natural product found in Vitis rotundifolia, Campsis grandiflora, and other organisms with data available.

1 2D Structure

CAS 1192-62-7

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-(furan-2-yl)ethanone

2.1.2 InChI

InChI=1S/C6H6O2/c1-5(7)6-3-2-4-8-6/h2-4H,1H3

2.1.3 InChI Key

IEMMBWWQXVXBEU-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(=O)C1=CC=CO1

2.2 Other Identifiers

2.2.1 UNII

Q5ZRP80K02

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 1192-62-7

2. 1-(furan-2-yl)ethanone

3. Acetylfuran

4. 2-furyl Methyl Ketone

5. 2-acetyl Furan

6. Methyl 2-furyl Ketone

7. 1-(2-furyl)ethanone

8. 2-furylethanone

9. Ketone, 2-furyl Methyl

10. 1-furan-2-yl-ethanone

11. Ethanone, 1-(2-furanyl)-

12. 1-(2-furanyl)ethanone

13. Furyl Methyl Ketone

14. Furan, 2-acetyl-

15. 2-acetylfurane

16. 1-(furan-2-yl)ethan-1-one

17. (2-furanyl)-1-ethanone

18. Fema No. 3163

19. 1-(2-furanyl)-ethanone

20. Ethanone, 1-(furanyl)-

21. 2-acetyl-furan

22. Q5zrp80k02

23. Chebi:59983

24. Nsc-4665

25. Nsc-49133

26. Acetyl Furan

27. Ccris 3161

28. 2-furyl Methyl Ketone (natural)

29. Nsc 4665

30. Einecs 214-757-1

31. Nsc 49133

32. Brn 0107909

33. Unii-q5zrp80k02

34. Ai3-23586

35. 2-acetofurone

36. Mfcd00003242

37. A-furyl Methyl Ketone

38. Methyl-2-furyl Ketone

39. 1-(2-furyl)ethanone #

40. Epitope Id:136039

41. 1-(furan-2-yl)-ethanone

42. Schembl43960

43. 5-17-09-00381 (beilstein Handbook Reference)

44. 2-acetylfuran [fhfi]

45. 2-furyl Methyl Ketone, 99%

46. 1-(2-furanyl)ethanone, 9ci

47. Dtxsid0051601

48. Fema 3163

49. Nsc4665

50. Zinc157401

51. Nsc49133

52. Str05504

53. 1-(2-furyl)ethanone;2-acetylfuran

54. 2-furyl Methyl Ketone [fcc]

55. Stk400329

56. 1-(2-furanyl)ethanone (acetylfuran)

57. Akos000119584

58. 2-furyl Methyl Ketone, >=99%, Fg

59. Am91073

60. Cs-w016628

61. Hy-w015912

62. Ps-4586

63. Sb60920

64. 1-(2-furanyl)-ethanone (2-acetylfuran)

65. 80145-44-4

66. Ac-11853

67. 2-furyl Methyl Ketone, Analytical Standard

68. Db-003253

69. A0091

70. Ft-0610977

71. 2-furyl Methyl Ketone, Purum, >=99.0% (gc)

72. A804234

73. 2-furyl Methyl Ketone, Natural (us), >=97%, Fg

74. Q-100089

75. Q15634156

76. F0001-0316

77. 2-aminomethyl-azetidine-1-carboxylic Acid Tert-butylester

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₆H₆O₂
Molecular Weight	110.11 g/mol
XLogP3	0.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	110.036779430 g/mol
Monoisotopic Mass	110.036779430 g/mol
Topological Polar Surface Area	30.2 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	98.7
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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