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2D Structure
Also known as: 99-05-8, M-aminobenzoic acid, M-carboxyaniline, Benzoic acid, 3-amino-, 3-carboxyaniline, Maba
Molecular Formula
C7H7NO2
Molecular Weight
137.14  g/mol
InChI Key
XFDUHJPVQKIXHO-UHFFFAOYSA-N
FDA UNII
G2X3B3O37U

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
3-aminobenzoic acid
2.1.2 InChI
InChI=1S/C7H7NO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,8H2,(H,9,10)
2.1.3 InChI Key
XFDUHJPVQKIXHO-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC(=CC(=C1)N)C(=O)O
2.2 Other Identifiers
2.2.1 UNII
G2X3B3O37U
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 3-aminobenzoic Acid, Monosodium Salt

2. M-aminobenzoic Acid

3. Meta-aminobenzoic Acid

2.3.2 Depositor-Supplied Synonyms

1. 99-05-8

2. M-aminobenzoic Acid

3. M-carboxyaniline

4. Benzoic Acid, 3-amino-

5. 3-carboxyaniline

6. Maba

7. Benzoic Acid, M-amino-

8. Aniline-3-carboxylic Acid

9. Mfcd00007795

10. M-aminobenzoesaeure

11. 3-aminobenzoesaeure

12. 3-amino-benzoic Acid

13. Mls000069458

14. Chembl307782

15. G2x3b3o37u

16. Imidogen, (3-carboxyphenyl)-

17. Chebi:42682

18. Nsc-15012

19. 143450-90-2

20. Smr000059135

21. 3-aminobenzoic Acid, 98%

22. Einecs 202-724-4

23. Nsc 15012

24. Brn 0471603

25. Unii-g2x3b3o37u

26. M-amonibenzoate

27. 3-aminobenzoic Acid; Mesalazine Imp. D (ep); Mesalazine Impurity D

28. Ai3-04707

29. M-aninobenzoic Acid

30. Gbc

31. M-amonibenzoic Acid

32. M-amino Benzoic Acid

33. 3-amino Benzoic Acid

34. Aniline-3-carboxylate

35. 3-anilinecarboxylic Acid

36. Opera_id_150

37. Aminobenzenecarboxylic Acid

38. Wln: Zr Cvq

39. Oprea1_172994

40. Schembl27648

41. 4-14-00-01092 (beilstein Handbook Reference)

42. Mls001076476

43. Aminobenzoic Acid, M-

44. Dtxsid3059183

45. M-aminobenzoic Acid [mi]

46. Hms2236h06

47. Hms3369j18

48. Nsc15012

49. Str00672

50. Bbl037339

51. Bdbm50226518

52. Stk301688

53. Akos000119015

54. Cs-w019987

55. Db02054

56. Ncgc00018151-01

57. Ncgc00018151-02

58. Ncgc00018151-03

59. Sy001800

60. Db-022255

61. Mesalazine Impurity D [ep Impurity]

62. A0268

63. Am20050192

64. Ns00014560

65. En300-18376

66. D70484

67. Q223045

68. 3-aminobenzoic Acid, Vetec(tm) Reagent Grade, 98%

69. Q-200359

70. Z57127542

71. F2191-0235

72. 3-aminobenzoic Acid, Pharmaceutical Secondary Standard; Certified Reference Material

73. Inchi=1/c7h7no2/c8-6-3-1-2-5(4-6)7(9)10/h1-4h,8h2,(h,9,10

2.4 Create Date
2004-09-16
3 Chemical and Physical Properties
Molecular Weight 137.14 g/mol
Molecular Formula C7H7NO2
XLogP30.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area63.3
Heavy Atom Count10
Formal Charge0
Complexity136
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1