CAS No 89-86-1

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Also known as: 89-86-1, Beta-resorcylic acid, 4-carboxyresorcinol, 4-hydroxysalicylic acid, Benzoic acid, 2,4-dihydroxy-, P-hydroxysalicylic acid

Molecular Formula

C₇H₆O₄

Molecular Weight

154.12 g/mol

InChI Key

UIAFKZKHHVMJGS-UHFFFAOYSA-N

FDA UNII

LU39SC9JYL

2,4-Dihydroxybenzoic acid is a natural product found in Solanum tuberosum, Cocos nucifera, and other organisms with data available.

1 2D Structure

CAS No 89-86-1

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2,4-dihydroxybenzoic acid

2.1.2 InChI

InChI=1S/C7H6O4/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,8-9H,(H,10,11)

2.1.3 InChI Key

UIAFKZKHHVMJGS-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC(=C(C=C1O)O)C(=O)O

2.2 Other Identifiers

2.2.1 UNII

LU39SC9JYL

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 2,4-dihydroxybenzoate

2. Beta-resorcylic Acid

3. Beta-resorcylic Acid, Lead Salt

4. Beta-resorcylic Acid, Monosodium Salt

5. Beta-resorcylic Acid, Sodium Salt

2.3.2 Depositor-Supplied Synonyms

1. 89-86-1

2. Beta-resorcylic Acid

3. 4-carboxyresorcinol

4. 4-hydroxysalicylic Acid

5. Benzoic Acid, 2,4-dihydroxy-

6. P-hydroxysalicylic Acid

7. Beta-resorcinolic Acid

8. 2,4-dhba

9. 2,4-dihydroxy-benzoic Acid

10. Resorcylic Acid, Beta

11. .beta.-resorcylic Acid

12. 2,4-resorcylic Acid

13. Mfcd00002451

14. .beta.-resorcinolic Acid

15. Nsc 13564

16. Coupler 320

17. Fema 3798

18. Resorcinol-4-carboxylic Acid

19. Lu39sc9jyl

20. Mls001055408

21. Bra

22. Dtxsid0025074

23. Nsc-4740

24. Nsc-13564

25. Smr001227190

26. 2,4-dihydroxy Benzoic Acid

27. 2,4-dihydroxybenzoicacid

28. Einecs 201-946-9

29. Unii-lu39sc9jyl

30. Brn 1946213

31. Dihydroxybenzoic Acid, 2,4-

32. Ai3-24366

33. 2,4-dihydroxybenzoic Acid; 4-carboxyresorcinol; 4-hydroxysalicylic Acid; 2,4-dhba; P-hydroxysalicylic Acid

34. Ss--resorcylic Acid

35. B-resorcylic Acid, 8ci

36. Resorcylic Acid, .beta.

37. 2,4-dihyrdoxybenzoic Acid

38. 2.4-dihydroxybenzoic Acid

39. Beta Resoryclic Acid Form I

40. Cid_1491

41. 2,4- Dihydroxybenzoic Acid

42. Oprea1_259729

43. Schembl28080

44. 4-10-00-01420 (beilstein Handbook Reference)

45. 2,4-bis(oxidanyl)benzoic Acid

46. Chembl328910

47. Dtxcid205074

48. Fema No. 3798

49. Bdbm74208

50. Chebi:42094

51. Chebi:89942

52. 2,4-hidyroxybenzoic Acid Form I

53. Nsc4740

54. 2,4-dihydroxybenzoic Acid, 97%

55. Hms3039a13

56. Hms3604d11

57. Nsc13564

58. Tox21_202471

59. .beta.-resorcylic Acid [mi]

60. Bbl011673

61. S6293

62. Stk299216

63. 2,4-dihydroxybenzoic Acid, >=97%

64. Akos001434143

65. Cs-w013291

66. Db02839

67. Hy-w012575

68. Cas-89-86-1

69. Ncgc00090922-01

70. Ncgc00090922-02

71. Ncgc00260020-01

72. 2,4-dihydroxybenzoic Acid [fhfi]

73. Ac-10404

74. Ds-18507

75. Pd007595

76. Sy014322

77. D0568

78. Ns00014677

79. En300-06121

80. D78167

81. Ae-562/41921969

82. L001160

83. Q209206

84. W-100355

85. F1995-0247

86. Z104502292

87. 2,4-dihydroxybenzoic Acid, Vetec(tm) Reagent Grade, 97%

88. Inchi=1/c7h6o4/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,8-9h,(h,10,11

2.4 Create Date

2005-03-25

3 Chemical and Physical Properties

Molecular Formula	C₇H₆O₄
Molecular Weight	154.12 g/mol
XLogP3	1.6
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	77.8
Heavy Atom Count	11
Formal Charge	0
Complexity	157
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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