CAS 595-91-5

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Also known as: 2,2,2-triphenylacetic acid, 595-91-5, Acetic acid, triphenyl-, Amg3vf7ebl, Chembl271207, Nsc-61

Molecular Formula

C₂₀H₁₆O₂

Molecular Weight

288.3 g/mol

InChI Key

DCYGAPKNVCQNOE-UHFFFAOYSA-N

FDA UNII

AMG3VF7EBL

1 2D Structure

CAS 595-91-5

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2,2,2-triphenylacetic acid

2.1.2 InChI

InChI=1S/C20H16O2/c21-19(22)20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H,(H,21,22)

2.1.3 InChI Key

DCYGAPKNVCQNOE-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)O

2.2 Other Identifiers

2.2.1 UNII

AMG3VF7EBL

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 2,2,2-triphenylacetic Acid

2. 595-91-5

3. Acetic Acid, Triphenyl-

4. Amg3vf7ebl

5. Chembl271207

6. Nsc-61

7. Benzeneacetic Acid, .alpha.,.alpha.-diphenyl-

8. Mfcd00004185

9. Benzeneacetic Acid, Alpha,alpha-diphenyl-

10. Triphenyl Acetic Acid

11. Nsc 61

12. Tritylformic Acid

13. Einecs 209-873-4

14. Tri Phenylacetic Acid

15. Alpha-toluic Acid, Alpha,alpha-diphenyl-

16. Unii-amg3vf7ebl

17. Ai3-05839

18. Maybridge1_006927

19. 2,2,2-triphenylaceticacid

20. Triphenylessigsa Currencyure

21. Triphenylacetic Acid, 99%

22. Nsc61

23. Schembl45520

24. 2,2,2-triphenyl-acetic Acid

25. Hms561c19

26. Amy5473

27. Dtxsid80208204

28. Zinc3860806

29. Bdbm50371393

30. Benzeneacetic Acid,.alpha.-diphenyl-

31. Cs1005

32. Stk332019

33. Akos005439331

34. .alpha.-toluic Acid,.alpha.-diphenyl-

35. Ccg-252183

36. Cs-w023181

37. Ds-17416

38. Sy109884

39. Db-001435

40. Bb 0261888

41. Ft-0632478

42. T1585

43. .alpha.-toluic Acid, .alpha.,.alpha.-diphenyl-

44. 595t915

45. A832376

46. J-640276

47. J-800275

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₂₀H₁₆O₂
Molecular Weight	288.3 g/mol
XLogP3	4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	288.115029749 g/mol
Monoisotopic Mass	288.115029749 g/mol
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	312
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

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