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Overview of CAS 2215-77-2

Client Email Product
4PBD-0-0
PharmaCompass
4PBD-0-0
Also known as: 2215-77-2, P-phenoxybenzoic acid, Benzoic acid, 4-phenoxy-, Diphenyl ether 4-carboxylic acid, 4-phenoxy-benzoic acid, 4-carboxybiphenyl ether
Molecular Formula
C13H10O3
Molecular Weight
214.22  g/mol
InChI Key
RYAQFHLUEMJOMF-UHFFFAOYSA-N

1 2D Structure

4PBD-0-0

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-phenoxybenzoic acid
2.1.2 InChI
InChI=1S/C13H10O3/c14-13(15)10-6-8-12(9-7-10)16-11-4-2-1-3-5-11/h1-9H,(H,14,15)
2.1.3 InChI Key
RYAQFHLUEMJOMF-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC=C(C=C1)OC2=CC=C(C=C2)C(=O)O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 2215-77-2

2. P-phenoxybenzoic Acid

3. Benzoic Acid, 4-phenoxy-

4. Diphenyl Ether 4-carboxylic Acid

5. 4-phenoxy-benzoic Acid

6. 4-carboxybiphenyl Ether

7. 4-carboxydiphenyl Ether

8. Benzoic Acid, P-phenoxy-

9. P-carboxydiphenyl Ether

10. 4-phenoxy Benzoic Acid

11. 4-phoc6h4cooh

12. Einecs 218-682-5

13. 4-phoc6h4co2h

14. Nsc 246039

15. Chembl107518

16. Chebi:72632

17. Ryaqfhluemjomf-uhfffaoysa-n

18. Mfcd00002539

19. St009250

20. Pubchem10914

21. Acmc-209fsz

22. 4-(phenoxy)benzoic Acid

23. Ac1q5ury

24. 4-(phenyloxy)benzoic Acid

25. Ac1l2o7u

26. Ac1q73fr

27. Timtec1_000711

28. Oprea1_785025

29. Cbdive_013558

30. Ksc493a8h

31. 4-phenoxybenzoic Acid, 97%

32. Schembl200428

33. Rarechem Al Bo 0319

34. Dtxsid6062258

35. Ctk3j3083

36. Timtec-bb Sbb000542

37. Zinc60939

38. Molport-001-760-123

39. Benzoic Acid, P-phenoxy- (8ci)

40. Hms1536a07

41. 4-phenoxybenzoic Acid, 99% 5g

42. 4pbd-0-0

43. Acn-s004179

44. Cs-d1189

45. Ks-000000jh

46. Abp001125

47. Anw-24753

48. Ar1892

49. Bdbm50060966

50. Labotest-bb Lt00454671

51. Nsc246039

52. Sbb000542

53. Akos000118807

54. Ac-7354

55. An-3724

56. As00854

57. Ls10181

58. Mcule-9013764014

59. Nsc-246039

60. Ps-7961

61. Rtx-010800

62. Vz29660

63. Otava-bb 7020662093

64. Ncgc00175201-01

65. Aj-09913

66. Ak-48109

67. Bp-12516

68. Br-48109

69. Kb-40227

70. Ls-38130

71. Sc-26406

72. Sy005874

73. Ab1003453

74. Ft-0619369

75. P1256

76. St24032831

77. X4219

78. A15383

79. S-1344

80. Ae-641/01666029

81. I14-6163

82. J-014558

83. Brd-k51068875-001-01-0

84. F2191-0037

85. Inchi=1/c13h10o3/c14-13(15)10-6-8-12(9-7-10)16-11-4-2-1-3-5-11/h1-9h,(h,14,15

2.3 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 214.22 g/mol
Molecular Formula C13H10O3
XLogP33.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass214.063 g/mol
Monoisotopic Mass214.063 g/mol
Topological Polar Surface Area46.5 A^2
Heavy Atom Count16
Formal Charge0
Complexity225
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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