CAS 699-83-2

Chemistry, 4 End Use API

Chemistry
4 End Use API

Manufacturers/Suppliers

4 Suppliers

4 Suppliers

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

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 Formula	C₈H₈O₃
Molecular Weight	152.15 g/mol
XLogP3	1.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	152.047344113 g/mol
Monoisotopic Mass	152.047344113 g/mol
Topological Polar Surface Area	57.5 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	145
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