CAS 1477-50-5

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1 End Use APIs
15 Related Intermediates

Chemistry

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Also known as: 1h-indole-2-carboxylic acid, 1477-50-5, 2-carboxyindole, 2-indolecarboxylic acid, Indol-2-carboxylic acid, Mfcd00005611

Molecular Formula

C₉H₇NO₂

Molecular Weight

161.16 g/mol

InChI Key

HCUARRIEZVDMPT-UHFFFAOYSA-N

indole-2-carboxylic acid is a natural product found in Strychnos cathayensis with data available.

1 2D Structure

CAS 1477-50-5

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1H-indole-2-carboxylic acid

2.1.2 InChI

InChI=1S/C9H7NO2/c11-9(12)8-5-6-3-1-2-4-7(6)10-8/h1-5,10H,(H,11,12)

2.1.3 InChI Key

HCUARRIEZVDMPT-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC=C2C(=C1)C=C(N2)C(=O)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1h-indole-2-carboxylic Acid

2. 1477-50-5

3. 2-carboxyindole

4. 2-indolecarboxylic Acid

5. Indol-2-carboxylic Acid

6. Mfcd00005611

7. 1h-indolecarboxylic Acid

8. 2-indolylformic Acid

9. 1h-indole-2-carboxylic

10. 1h-indole-2-carboxylicacid

11. Chembl278390

12. 137497-03-1

13. N-[4-(2-pyridinyl)-2-thiazolyl]-2-pyridinamine

14. Nsc 16598

15. Einecs 216-030-4

16. Carboxyindole

17. 2-indolecarboxylate

18. Icb

19. Indolecarboxylic Acid

20. Indole Carboxylic Acid

21. 2-carboxy-1h-indole

22. 2-indolcarboxylic Acid

23. Spectrum_001485

24. 2-indol Carboxylic Acid

25. Specplus_000676

26. Spectrum2_000021

27. Spectrum3_000943

28. Spectrum4_001042

29. Spectrum5_001735

30. 1h-2-indolecarboxylic Acid

31. Schembl1935

32. 1h-indol-2-carboxylic Acid

33. Oprea1_557882

34. Kbiogr_001304

35. Kbioss_001965

36. Mls002207203

37. Divk1c_006772

38. Spectrum1502082

39. Spbio_000081

40. 1h-indole-2-carbonsäure

41. 2-indole Carboxylic Acid

42. Hcuarriezvdmpt-uhfffaoysa-

43. Indole-2-carboxylic Acid, 98%

44. Kbio1_001716

45. Kbio2_001965

46. Kbio2_004533

47. Kbio2_007101

48. Kbio3_002006

49. Amy2735

50. Dtxsid20163782

51. Chebi:169990

52. Hms1921h22

53. Zinc145536

54. Act06982

55. Bcp00082

56. Cs-m1850

57. Hy-i0096

58. Nsc16598

59. Str02479

60. Bdbm50004955

61. Ccg-39889

62. Nsc-16598

63. S6228

64. Stk001808

65. Akos000121595

66. Ab00454

67. Ac-3062

68. Cg-0515

69. Sdccgmls-0065971.p001

70. Ncgc00094957-01

71. Ncgc00094957-02

72. Smr000112260

73. Sy003715

74. Db-011564

75. Bb 0242376

76. Ft-0627213

77. Ft-0627228

78. Ft-0651889

79. I0332

80. 77i505

81. I-2300

82. Aq-776/40177767

83. Sr-01000392684

84. Sr-01000392684-1

85. Q27461367

86. F0451-0610

87. 1h-indole-2-carboxylic Acid; Compound With 1h-indole-2-carboxylic Acid

2.3 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₉H₇NO₂
Molecular Weight	161.16 g/mol
XLogP3	2.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	161.047678466 g/mol
Monoisotopic Mass	161.047678466 g/mol
Topological Polar Surface Area	53.1 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	193
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