CAS 99-10-5

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Also known as: 99-10-5, Alpha-resorcylic acid, 5-carboxyresorcinol, Benzoic acid, 3,5-dihydroxy-, A-resorcylic acid, 3,5-dihydroxybenzoicacid

Molecular Formula

C₇H₆O₄

Molecular Weight

154.12 g/mol

InChI Key

UYEMGAFJOZZIFP-UHFFFAOYSA-N

FDA UNII

2WC5LMO6L1

3,5-dihydroxybenzoic acid is a natural product found in Viburnum cylindricum, Persea americana, and other organisms with data available.

1 2D Structure

CAS 99-10-5

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3,5-dihydroxybenzoic acid

2.1.2 InChI

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

2.1.3 InChI Key

UYEMGAFJOZZIFP-UHFFFAOYSA-N

2.1.4 Canonical SMILES

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

2.2 Other Identifiers

2.2.1 UNII

2WC5LMO6L1

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Alpha-resorcylic Acid

2. Alpha-resorcylic Acid, Copper (2+) Salt

3. Alpha-resorcylic Acid, Sodium Salt

2.3.2 Depositor-Supplied Synonyms

1. 99-10-5

2. Alpha-resorcylic Acid

3. 5-carboxyresorcinol

4. Benzoic Acid, 3,5-dihydroxy-

5. A-resorcylic Acid

6. 3,5-dihydroxybenzoicacid

7. 3,5-dihydroxy-benzoic Acid

8. 3,5-dihydroxybenzoate

9. Nsc 22948

10. 3,5-dhba

11. .alpha.-resorcylic Acid

12. Unii-2wc5lmo6l1

13. 3,5-dihydroxy Benzoic Acid

14. Mfcd00002512

15. 2wc5lmo6l1

16. Chembl95308

17. Chebi:39912

18. 3,5-dihydroxybenzoic Acid, 97%

19. Nsc-22948

20. Benzoic Acid, 3,5-dihydroxy-, Homopolymer

21. 145639-71-0

22. 3,5-dihydroxybenzoic Acid (alpha-resorcylic Acid)

23. Einecs 202-730-7

24. Brn 2207864

25. Ai3-52338

26. 3,5-dihyroxybenzoic Acid

27. 3,5-dihydroxybenzoate, Ix

28. Schembl28106

29. 4-10-00-01501 (beilstein Handbook Reference)

30. Gtpl5783

31. Dtxsid8059184

32. Zinc388546

33. Nsc22948

34. Str02341

35. Bbl019762

36. Bdbm50336490

37. S6160

38. Stl146349

39. Akos005721135

40. Ab00234

41. Ac-1166

42. Cs-w016276

43. Hy-w015560

44. Ps-4051

45. 34d

46. Ac-10253

47. Sy003472

48. Db-028292

49. 3,5-dihydroxybenzoic Acid (acd/name 4.0)

50. B7686

51. D0570

52. D2554

53. Ft-0602267

54. P16552

55. Ae-562/40806860

56. Alpha-resorcylic Acid (3,5-dihydroxybenzoic Acid)

57. Q-200348

58. Q4634089

59. Terbutaline Sulfate Impurity A [ep Impurity]

60. F0001-2331

61. Z1705787110

62. 3,5-dihydroxybenzoic Acid, Vetec(tm) Reagent Grade, 97%

63. 19991-00-5

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₇H₆O₄
Molecular Weight	154.12 g/mol
XLogP3	0.9
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	154.02660867 g/mol
Monoisotopic Mass	154.02660867 g/mol
Topological Polar Surface Area	77.8 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	147
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