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Overview of CAS 6705-03-9

Client Email Product
4CH-014962
PharmaCompass
4CH-014962
Also known as: 6705-03-9, 5-methoxyanthranilic acid, 2-amino-5-methoxybenzoicacid, 2-amino-5-methoxy-benzoic acid, Benzoic acid, 2-amino-5-methoxy-, Mfcd00016509
Molecular Formula
C8H9NO3
Molecular Weight
167.164  g/mol
InChI Key
UMKSAURFQFUULT-UHFFFAOYSA-N

1 2D Structure

4CH-014962

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-amino-5-methoxybenzoic acid
2.1.2 InChI
InChI=1S/C8H9NO3/c1-12-5-2-3-7(9)6(4-5)8(10)11/h2-4H,9H2,1H3,(H,10,11)
2.1.3 InChI Key
UMKSAURFQFUULT-UHFFFAOYSA-N
2.1.4 Canonical SMILES
COC1=CC(=C(C=C1)N)C(=O)O
2.2 Synonyms
2.2.1 MeSH Synonyms

1. 5-methoxyanthranilic Acid

2.2.2 Depositor-Supplied Synonyms

1. 6705-03-9

2. 5-methoxyanthranilic Acid

3. 2-amino-5-methoxybenzoicacid

4. 2-amino-5-methoxy-benzoic Acid

5. Benzoic Acid, 2-amino-5-methoxy-

6. Mfcd00016509

7. Umksaurfqfuult-uhfffaoysa-n

8. 2-amino-5-methoxybenzoic Acid, 97%

9. Pubchem2544

10. Ac1q5tsj

11. Acmc-1b7jp

12. 5-methoxy Anthranilic Acid

13. Ac1l5n1c

14. 5-methoxyanththranillic Acid

15. Ksc495k4p

16. Schembl221141

17. 3-methoxy-6-aminobenzoic Acid

18. 2-amino-5-methoxylbenzoic Acid

19. Ac1q486v

20. Jsp000045

21. 2-amino-5-methoxy Benzoic Acid

22. Ctk3j5547

23. Ks-00003qql

24. Dtxsid50298930

25. 2-amino-5-methoxybenzoic Acid #

26. Act00261

27. Bcp10331

28. Ebd23466

29. Ks-000002ds

30. Zinc1715572

31. Anw-14061

32. Cm-037

33. Nsc126996

34. Sbb052619

35. Wt2233

36. Akos005145853

37. Ac-1669

38. An-2899

39. As01777

40. Cm12423

41. Cs-w009211

42. Ls11463

43. Mcule-2935055614

44. Nsc-126996

45. Ps-6044

46. Rp02508

47. Rtc-069785

48. Tra0045295

49. Aj-30848

50. Ak-25221

51. Bc210200

52. Br-25221

53. L185

54. Sc-06188

55. Sy014917

56. 6705-3-9 2-amino-5-methoxybenzoic Acid

57. Db-014019

58. St2416426

59. Tc-069785

60. Tl8004730

61. 4ch-014962

62. Am20060709

63. Ft-0636243

64. St50408071

65. M-2876

66. Mfcd00016509 (97+%)

67. 705a039

68. An-584/43074539

69. I01-2733

70. Z1816507538

2.3 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 167.164 g/mol
Molecular Formula C8H9NO3
XLogP30.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass167.058 g/mol
Monoisotopic Mass167.058 g/mol
Topological Polar Surface Area72.6 A^2
Heavy Atom Count12
Formal Charge0
Complexity172
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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