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Also known as: 699-83-2, 1-(2,6-dihydroxyphenyl)ethanone, 2,6-dihydroxyacetophenone, 2-acetylresorcinol, Resorcinol, 2-acetyl-, Ethanone, 1-(2,6-dihydroxyphenyl)-
Molecular Formula
C8H8O3
Molecular Weight
152.15  g/mol
InChI Key
YPTJKHVBDCRKNF-UHFFFAOYSA-N
FDA UNII
88BO51G3Y2

CAS 699-83-2
2',6'-dihydroxyacetophenone is a natural product found in Aquilaria sinensis, Daldinia eschscholtzii, and other organisms with data available.
1 2D Structure

CAS 699-83-2

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-(2,6-dihydroxyphenyl)ethanone
2.1.2 InChI
InChI=1S/C8H8O3/c1-5(9)8-6(10)3-2-4-7(8)11/h2-4,10-11H,1H3
2.1.3 InChI Key
YPTJKHVBDCRKNF-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC(=O)C1=C(C=CC=C1O)O
2.2 Other Identifiers
2.2.1 UNII
88BO51G3Y2
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 2,6-dihydroxyacetophenone

2. Dihydroxyacetophenone

2.3.2 Depositor-Supplied Synonyms

1. 699-83-2

2. 1-(2,6-dihydroxyphenyl)ethanone

3. 2,6-dihydroxyacetophenone

4. 2-acetylresorcinol

5. Resorcinol, 2-acetyl-

6. Ethanone, 1-(2,6-dihydroxyphenyl)-

7. 1-(2,6-dihydroxyphenyl)ethan-1-one

8. 2,6-dihydroxy Acetophenone

9. Gamma-resacetophenone

10. 1,3-benzenediol, 2-acetyl-

11. .gamma.-resacetophenone

12. Acetophenone, 2',6'-dihydroxy-

13. Mfcd00002270

14. Nsc 615

15. 2, 6-dihydroxyacetophenone

16. Acetyl-2,6-dihydroxybenzene

17. 2',6'-dihydroxy-acetophenone

18. Chembl454739

19. 2-acetyl-1,3-dihydroxybenzene

20. Nsc-615

21. 88bo51g3y2

22. 1-(2,6-dihydroxyphenyl)-ethanone

23. 1-(2,6-dihydroxy-phenyl)-ethanone

24. 1-[2,6-bis(oxidanyl)phenyl]ethanone

25. 1-(2,6-dihydroxyphenyl)ethanone (2',6'-dihydroxyacetophenone)

26. Unii-88bo51g3y2

27. Einecs 211-833-6

28. 2-acetyl-resorcinol

29. Mono Acetyl Resorcinol

30. 2-acetyl Resorcinol

31. Ec 211-833-6

32. Acetophenone,6'-dihydroxy-

33. 2-acetyl-1,3-benzenediol

34. Dihydroxyacetophenone(2,6-)

35. 2`,6`-dihydroxyacetophenone

36. Ethanone,6-dihydroxyphenyl)-

37. Bidd:er0607

38. Schembl105807

39. 2',6'-dihydroxy Acetophenone

40. Nsc615

41. (2',6'-dihydroxy)acetophenone

42. 2'',6''-dihydroxyacetophenone

43. 2\',6\'-dihydroxyacetophenone

44. Laquo Gammaraquo -resacetophenone

45. Yptjkhvbdcrknf-uhfffaoysa-

46. Dtxsid00220185

47. Chebi:173644

48. Zinc157768

49. Act00503

50. Amy21894

51. Hy-y0106

52. 2',6'-dihydroxyacetophenone, 97%

53. Bdbm50249071

54. Ck2557

55. Stl195537

56. Acetophenone, 2,6-dihydroxy-

57. Akos000299253

58. Cs-w019984

59. Fs-2546

60. 1-(2,6-dihydroxyphenyl)ethanone, 9ci

61. Ncgc00166008-01

62. Ac-10724

63. Acetophenone, 2',6'-dihydroxy- (8ci)

64. Sy001633

65. Db-020214

66. D1716

67. Ft-0610665

68. Ethanone, 1-(2,6-dihydroxyphenyl)- (9ci)

69. 99d832

70. D-3400

71. A836723

72. Ab-131/40185723

73. Sodium Cromoglicate Impurity A [ep Impurity]

74. W-203531

75. Q27269919

76. 2',6'-dihydroxyacetophenone, Matrix Substance For Maldi-ms, >=99.5%

77. 2 Inverted Exclamation Mark ,6 Inverted Exclamation Mark -dihydroxyacetophenone

78. 2',6'-dihydroxyacetophenone, Matrix Substance For Maldi-ms, >=99.5% (hplc), Ultra Pure

79. 9eq

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 152.15 g/mol
Molecular Formula C8H8O3
XLogP31.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass152.047344113 g/mol
Monoisotopic Mass152.047344113 g/mol
Topological Polar Surface Area57.5 Ų
Heavy Atom Count11
Formal Charge0
Complexity145
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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