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CAS 1882-69-5
PharmaCompass
CAS 1882-69-5
Also known as: 1882-69-5, 2-nitro-5-methoxybenzoic acid, 6-nitro-m-anisic acid, 5-methoxy-2-nitro-benzoic acid, Uradkxvaigmteg-uhfffaoysa-n, Benzoic acid, 5-methoxy-2-nitro-
Molecular Formula
C8H7NO5
Molecular Weight
197.146  g/mol
InChI Key
URADKXVAIGMTEG-UHFFFAOYSA-N

1 2D Structure

CAS 1882-69-5

2 Identification
2.1 Computed Descriptors
2.1.1 InChI
InChI=1S/C8H7NO5/c1-14-5-2-3-7(9(12)13)6(4-5)8(10)11/h2-4H,1H3,(H,10,11)
2.1.2 InChI Key
URADKXVAIGMTEG-UHFFFAOYSA-N
2.1.3 Canonical SMILES
COC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 1882-69-5

2. 2-nitro-5-methoxybenzoic Acid

3. 6-nitro-m-anisic Acid

4. 5-methoxy-2-nitro-benzoic Acid

5. Uradkxvaigmteg-uhfffaoysa-n

6. Benzoic Acid, 5-methoxy-2-nitro-

7. Sbb028524

8. St50405872

9. Nsc364656

10. Pubchem4229

11. Acmc-1brd6

12. 2-nitro-5-methoxybenzoate

13. Ac1l7ph8

14. 2-nitro-5-methoxybenzoicacid

15. 5-methoxy-2-nitrobenzoicacid

16. Ksc495e6d

17. Schembl269614

18. Ac1q486s

19. Jsp003862

20. 2-nitro-5-methoxy Benzoic Acid

21. Ctk3j5261

22. Ks-00000cbe

23. Timtec-bb Sbb028524

24. Dtxsid90320805

25. Molport-001-765-901

26. Wt046

27. Zinc163370

28. 5-(methyloxy)-2-nitrobenzoic Acid

29. Act12273

30. Str05879

31. An-375

32. Anw-23388

33. Mfcd00151836

34. 5-methoxy-2-nitrobenzoic Acid, 97%

35. Akos000147444

36. Ac-1099

37. As00757

38. Cm12838

39. Cs-w002435

40. Mcule-8399808603

41. Nsc-364656

42. Rp25517

43. Rtr-008717

44. Tra0057264

45. Aj-16025

46. Ak-27716

47. Bc220616

48. Br-27716

49. Kb-43561

50. Sc-02025

51. Sy002263

52. Ab0011387

53. Db-044670

54. St2412066

55. Tl8001528

56. Tr-008717

57. 1882-69-5 5-methoxy-2-nitrobenzoic Acid

58. Am20060092

59. Ft-0085061

60. Ft-0620559

61. M2245

62. M6282

63. En300-51143

64. A20392

65. M-2293

66. 882m695

67. 2-nitro-5-methoxybenzoic Acid;6-nitro-m-anisicacid

68. I01-0284

69. J-012127

70. J-517682

71. Z90146674

72. F0001-0675

73. Inchi=1/c8h7no5/c1-14-5-2-3-7(9(12)13)6(4-5)8(10)11/h2-4h,1h3,(h,10,11

2.3 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 197.146 g/mol
Molecular Formula C8H7NO5
XLogP31.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass197.032 g/mol
Monoisotopic Mass197.032 g/mol
Topological Polar Surface Area92.4 A^2
Heavy Atom Count14
Formal Charge0
Complexity236
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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