CAS 114772-34-8

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1 Suppliers, 1 End Use APIs, 47 Related Intermediates

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1 End Use APIs
47 Related Intermediates

Chemistry

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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

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 Formula	C₁₅H₁₄O₂
Molecular Weight	226.27 g/mol
XLogP3	4.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	226.099379685 g/mol
Monoisotopic Mass	226.099379685 g/mol
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	254
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1