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Overview of CAS 50-85-1

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4H0106V3D3
PharmaCompass
4H0106V3D3
Also known as: 4-methylsalicylic acid, 2-hydroxy-4-methylbenzoic acid, 50-85-1, 2,4-cresotic acid, M-cresotinic acid, 2-hydroxy-p-toluic acid
Molecular Formula
C8H8O3
Molecular Weight
152.149  g/mol
InChI Key
NJESAXZANHETJV-UHFFFAOYSA-N
FDA UNII
4H0106V3D3

1 2D Structure

4H0106V3D3

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-hydroxy-4-methylbenzoic acid
2.1.2 InChI
InChI=1S/C8H8O3/c1-5-2-3-6(8(10)11)7(9)4-5/h2-4,9H,1H3,(H,10,11)
2.1.3 InChI Key
NJESAXZANHETJV-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1=CC(=C(C=C1)C(=O)O)O
2.2 Other Identifiers
2.2.1 UNII
4H0106V3D3
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 4-methylsalicylic Acid

2. 2-hydroxy-4-methylbenzoic Acid

3. 50-85-1

4. 2,4-cresotic Acid

5. M-cresotinic Acid

6. 2-hydroxy-p-toluic Acid

7. M-homosalicylic Acid

8. 4-methyl-2-hydroxybenzoic Acid

9. Gamma-cresotic Acid

10. Benzoic Acid, 2-hydroxy-4-methyl-

11. 4-methylsalicyclic Acid

12. 4-methylsalicylate

13. 4-methylsalicylicacid

14. Nsc 16634

15. Unii-4h0106v3d3

16. .gamma.-cresotic Acid

17. 2-hydroxy-4-methyl-benzoic Acid

18. 4-methyl Salicylic Acid

19. Einecs 200-068-3

20. Brn 2208140

21. Ai3-25424

22. Chebi:20450

23. Njesaxzanhetjv-uhfffaoysa-n

24. Nsc16634

25. Sbb058803

26. 4h0106v3d3

27. 4-methysalicylic Acid

28. Pubchem18270

29. Acmc-209kqi

30. Bmse000624

31. Ac1q2j6x

32. 4-10-00-00617 (beilstein Handbook Reference)

33. Ksc270o7j

34. Schembl168869

35. 4-methylsalicylic Acid, 99%

36. Ac1l1l52

37. Chembl1650625

38. 2-hydroxy-4-methyl Benzoic Acid

39. Ctk1h0774

40. Ks-00000caw

41. Dtxsid30198166

42. Molport-000-160-194

43. Benzoicacid, 2-hydroxy-4-methyl-

44. Zinc407084

45. Anw-31144

46. Fc0767

47. Mfcd00002454

48. Nsc-16634

49. Akos000120850

50. Cs-w009192

51. Fs-1791

52. Mcule-9062424386

53. Rp21565

54. Rtr-018158

55. Tra0035749

56. Ac-11661

57. Aj-22593

58. Ak-73066

59. An-24384

60. Bp-12491

61. Br-73066

62. Kb-39971

63. Ls-55453

64. Or001306

65. Or123290

66. Sc-25952

67. Ab0011991

68. Db-013337

69. St2416954

70. Tr-018158

71. Am20060640

72. Ft-0619108

73. St50824319

74. C14103

75. M-6179

76. W-105927

77. 4-methylsalicylic Acid, Vetec(tm) Reagent Grade, 99%

78. Z1270312079

79. Inchi=1/c8h8o3/c1-5-2-3-6(8(10)11)7(9)4-5/h2-4,9h,1h3,(h,10,11

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 152.149 g/mol
Molecular Formula C8H8O3
XLogP33
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass152.047 g/mol
Monoisotopic Mass152.047 g/mol
Topological Polar Surface Area57.5 A^2
Heavy Atom Count11
Formal Charge0
Complexity155
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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