CAS 50-85-1

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Also known as: 50-85-1, 2-hydroxy-4-methylbenzoic acid, M-cresotic acid, M-cresotinic acid, 2,4-cresotic acid, 2-hydroxy-p-toluic acid

Molecular Formula

C₈H₈O₃

Molecular Weight

152.15 g/mol

InChI Key

NJESAXZANHETJV-UHFFFAOYSA-N

FDA UNII

4H0106V3D3

1 2D Structure

CAS 50-85-1

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-hydroxy-4-methylbenzoic acid

2.1.2 InChI

InChI=1S/C8H8O3/c1-5-2-3-6(8(10)11)7(9)4-5/h2-4,9H,1H3,(H,10,11)

2.1.3 InChI Key

NJESAXZANHETJV-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=CC(=C(C=C1)C(=O)O)O

2.2 Other Identifiers

2.2.1 UNII

4H0106V3D3

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 2-hydroxy-p-toluic Acid

2.3.2 Depositor-Supplied Synonyms

1. 50-85-1

2. 2-hydroxy-4-methylbenzoic Acid

3. M-cresotic Acid

4. M-cresotinic Acid

5. 2,4-cresotic Acid

6. 2-hydroxy-p-toluic Acid

7. M-homosalicylic Acid

8. 4-methyl-2-hydroxybenzoic Acid

9. Benzoic Acid, 2-hydroxy-4-methyl-

10. Gamma-cresotic Acid

11. 4-methylsalicyclic Acid

12. 4-methylsalicylate

13. .gamma.-cresotic Acid

14. Nsc 16634

15. 2-hydroxy-4-methyl-benzoic Acid

16. Chebi:20450

17. Nsc16634

18. Mfcd00002454

19. Nsc-16634

20. 4h0106v3d3

21. 4-methyl Salicylic Acid

22. Einecs 200-068-3

23. Brn 2208140

24. Ai3-25424

25. Unii-4h0106v3d3

26. 4-methysalicylic Acid

27. Bmse000624

28. 4-10-00-00617 (beilstein Handbook Reference)

29. 2-hydroxy-4-methylbenzoicacid

30. M-cresotic Acid [mi]

31. Schembl168869

32. 4-methylsalicylic Acid, 99%

33. 4-methyl-2-hydroxobenzoic Acid

34. Chembl1650625

35. Dtxsid30198166

36. Zinc407084

37. Ac7810

38. S5519

39. Akos000120850

40. Ccg-266222

41. Cs-w009192

42. Fs-1791

43. Ac-11661

44. Bp-12491

45. Hy-78144

46. Sy001921

47. Db-013337

48. Am20060640

49. Ft-0619108

50. W-105927

51. Q15634118

52. 4-methylsalicylic Acid, Vetec(tm) Reagent Grade, 99%

53. Z1270312079

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₈H₈O₃
Molecular Weight	152.15 g/mol
XLogP3	3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	152.047344113 g/mol
Monoisotopic Mass	152.047344113 g/mol
Topological Polar Surface Area	57.5 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	155
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