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Also known as: 114772-34-8, Methyl 4'-methyl-[1,1'-biphenyl]-2-carboxylate, Methyl 4'-methylbiphenyl-2-carboxylate, Methyl 2-(4-methylphenyl)benzoate, Methyl 2-(p-tolyl)benzoate, [1,1'-biphenyl]-2-carboxylic acid, 4'-methyl-, methyl ester
Molecular Formula
C15H14O2
Molecular Weight
226.27  g/mol
InChI Key
IHNIAWHITVGYJJ-UHFFFAOYSA-N

CAS 114772-34-8
1 2D Structure

CAS 114772-34-8

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
methyl 2-(4-methylphenyl)benzoate
2.1.2 InChI
InChI=1S/C15H14O2/c1-11-7-9-12(10-8-11)13-5-3-4-6-14(13)15(16)17-2/h3-10H,1-2H3
2.1.3 InChI Key
IHNIAWHITVGYJJ-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1=CC=C(C=C1)C2=CC=CC=C2C(=O)OC
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 114772-34-8

2. Methyl 4'-methyl-[1,1'-biphenyl]-2-carboxylate

3. Methyl 4'-methylbiphenyl-2-carboxylate

4. Methyl 2-(4-methylphenyl)benzoate

5. Methyl 2-(p-tolyl)benzoate

6. [1,1'-biphenyl]-2-carboxylic Acid, 4'-methyl-, Methyl Ester

7. Methyl 4'-methyl[1,1'-biphenyl]-2-carboxylate

8. 2-(p-tolyl)benzoic Acid Methyl Ester

9. Schembl249

10. Dtxsid00362716

11. Bcp12224

12. Zinc1259344

13. Methyl 2-(4'-methylphenyl)benzoate

14. Mfcd03453661

15. Methyl 4'methylbiphenyl-2-carboxylate

16. 4 Inverted Exclamation Mark -methylbiphenyl-2-carboxylic Acid Methyl Ester

17. Akos004114791

18. 4-methyl Methyl Biphenyl-2-carboxylate

19. Ac-6373

20. Am90277

21. As-3158

22. Methyl 4'-methyl-2-biphenylcarboxylate

23. Methyl 4'-methyl-biphenyl-2-carboxylate

24. Methyl 4\'-methylbiphenyl-2-carboxylate

25. Db-002803

26. Bb 0223440

27. Cs-0196517

28. Ft-0642789

29. M1809

30. Methyl 4'-methyl-1,1'-biphenyl-2-carboxylate

31. Methyl 4'-methyl-(1,1'biphenyl)-2-carboxylate

32. Methyl4'-methyl-[1,1'-biphenyl]-2-carboxylate

33. 4'-methyl-biphenyl-2-carboxylic Acid Methyl Ester

34. 772m348

35. A803227

36. J-003130

37. J-522379

38. Methyl 4'-methyl-(1, 1'-biphenyl)-2-carboxylate

39. Methyl-4'-methyl-1,1'-biphenyl-2-carboxylate

40. [1,1'-biphenyl]-2-carboxylic Acid,4'-methyl-,methyl Ester

41. 4'-methylbiphenyl-2-carboxylic Acid Methyl Ester, Aldrichcpr

2.3 Create Date
2005-07-11
3 Chemical and Physical Properties
Molecular Weight 226.27 g/mol
Molecular Formula C15H14O2
XLogP34.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass226.099379685 g/mol
Monoisotopic Mass226.099379685 g/mol
Topological Polar Surface Area26.3 Ų
Heavy Atom Count17
Formal Charge0
Complexity254
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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