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Overview of CAS 50890-83-0

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4CH-015335
PharmaCompass
4CH-015335
Also known as: 50890-83-0, 1-methyl-1h-indazole-3-carboxylic acid, N-methyl-indazole-3-carboxylic acid, 1-methyl-3-indazolecarboxylic acid, 1h-indazole-3-carboxylic acid, 1-methyl-, 1-methyl-indazole-3-carboxylic acid
Molecular Formula
C9H8N2O2
Molecular Weight
176.175  g/mol
InChI Key
OVVDFORZEGKEJM-UHFFFAOYSA-N

1 2D Structure

4CH-015335

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-methylindazole-3-carboxylic acid
2.1.2 InChI
InChI=1S/C9H8N2O2/c1-11-7-5-3-2-4-6(7)8(10-11)9(12)13/h2-5H,1H3,(H,12,13)
2.1.3 InChI Key
OVVDFORZEGKEJM-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CN1C2=CC=CC=C2C(=N1)C(=O)O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 50890-83-0

2. 1-methyl-1h-indazole-3-carboxylic Acid

3. N-methyl-indazole-3-carboxylic Acid

4. 1-methyl-3-indazolecarboxylic Acid

5. 1h-indazole-3-carboxylic Acid, 1-methyl-

6. 1-methyl-indazole-3-carboxylic Acid

7. N-methylindazole-3-carboxylic Acid

8. 1-methylindozole-3-carboxylic Acid

9. Aq-358/41297702

10. N-methyl-indozole-3-carboxylic Acid

11. N-methyl-(1h)indazole-3-carboxylic Acid

12. 1-methyl-3-indazolecarboxylicacid

13. 1h-methylindazole-3-carboxylic Acid

14. Ac1lenhc

15. Pubchem19498

16. Acmc-209kqo

17. Ac1q5uwc

18. Ksc269g6b

19. Schembl496589

20. Granisetron Related Compound D

21. Ind072

22. Ctk1g9360

23. Zinc58277

24. 1-methyl-indazole-carboxylic-acid

25. Dtxsid10351050

26. 1-methylindazole-3-carboxylicacid

27. Molport-000-004-727

28. Ovvdforzegkejm-uhfffaoysa-n

29. 3-carboxy-1-methylindazole

30. 1-methyl-3-indazolylcarboxylic Acid

31. Acn-s004055

32. Albb-006391

33. Ks-000003ht

34. 1-methyl-indozole-3-carboxylic Acid

35. N-methyl Indazole-3-carboxylic Acid

36. Anw-31150

37. Bbl001476

38. Cm-062

39. Hts001761

40. Mfcd00272569

41. Sbb000193

42. Stk503888

43. Akos000265203

44. Ac-1977

45. Acn-025753

46. Cs-w007927

47. Fs-2172

48. Mcule-5318366728

49. Pb33889

50. Rp02989

51. Rtc-063586

52. Tra0047912

53. Vi20009

54. 1-methyl Indazole Carboxylic Acid

55. 1h-indazole-3-carboxylicacid, 1-methyl-

56. Aj-09865

57. Ak-26049

58. An-14449

59. Br-26049

60. Kb-12923

61. Sc-25884

62. Sy002051

63. 1-methylindazole-3-carboxylic Acid, 97%

64. Ab0010830

65. Ab1001302

66. Db-011636

67. St1100549

68. Tc-063586

69. Tl8003376

70. 4ch-015335

71. Am20040587

72. Bb 0255029

73. Bg00601750

74. Bg01504346

75. Bg01504347

76. Ft-0639948

77. M2143

78. St50308799

79. 90m830

80. C-5809

81. M50080

82. A828509

83. A1-01699

84. I01-1607

85. J-504878

86. J-650195

87. Granisetron Related Compound D, United States Pharmacopeia (usp) Reference Standard

2.3 Create Date
2005-07-07
3 Chemical and Physical Properties
Molecular Weight 176.175 g/mol
Molecular Formula C9H8N2O2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass176.059 g/mol
Monoisotopic Mass176.059 g/mol
Topological Polar Surface Area55.1 A^2
Heavy Atom Count13
Formal Charge0
Complexity220
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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