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Also known as: 2215-77-2, P-phenoxybenzoic acid, Benzoic acid, 4-phenoxy-, 4-phenoxy-benzoic acid, Diphenyl ether 4-carboxylic acid, Benzoic acid, p-phenoxy-
Molecular Formula
C13H10O3
Molecular Weight
214.22  g/mol
InChI Key
RYAQFHLUEMJOMF-UHFFFAOYSA-N
FDA UNII
K7YP1JL5BZ

CAS 2215-77-2
1 2D Structure

CAS 2215-77-2

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 Other Identifiers
2.2.1 UNII
K7YP1JL5BZ
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 4-carboxy Biphenylether

2. 4-carboxybiphenyl Ether

3. 4-carboxybiphenyl Ether, Sodium Salt

4. 4-carboxydiphenyl Ether

5. 4cbpe

2.3.2 Depositor-Supplied Synonyms

1. 2215-77-2

2. P-phenoxybenzoic Acid

3. Benzoic Acid, 4-phenoxy-

4. 4-phenoxy-benzoic Acid

5. Diphenyl Ether 4-carboxylic Acid

6. Benzoic Acid, P-phenoxy-

7. 4-carboxydiphenyl Ether

8. 4-carboxybiphenyl Ether

9. P-carboxydiphenyl Ether

10. 4-phenoxy Benzoic Acid

11. 4-phoc6h4cooh

12. Mfcd00002539

13. K7yp1jl5bz

14. 4-phoc6h4co2h

15. Chembl107518

16. Chebi:72632

17. Nsc-246039

18. Einecs 218-682-5

19. Nsc 246039

20. Jo4

21. 4-(phenoxy)benzoic Acid

22. Unii-k7yp1jl5bz

23. 4-(phenyloxy)benzoic Acid

24. Timtec1_000711

25. Oprea1_785025

26. Cbdive_013558

27. 4-phenoxybenzoic Acid, 97%

28. Schembl200428

29. Dtxsid6062258

30. Zinc60939

31. Amy8794

32. Hms1536a07

33. Bcp27317

34. Cs-d1189

35. Ar1892

36. Bdbm50060966

37. Nsc246039

38. Akos000118807

39. Ac-7354

40. Ps-7961

41. Ncgc00175201-01

42. Bp-12516

43. Sy005874

44. Ft-0619369

45. P1256

46. Ae-641/01666029

47. J-014558

48. Brd-k51068875-001-01-0

49. Q27140032

50. F2191-0037

51. P-phenoxybenzoic Acid;benzoic Acid, 4-phenoxy-;diphenyl Ether 4-carboxylic Acid

2.4 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 Mass214.062994177 g/mol
Monoisotopic Mass214.062994177 g/mol
Topological Polar Surface Area46.5 Ų
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

BUILDING BLOCK

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