CAS-611-20-1

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Also known as: 2-cyanophenol, 611-20-1, Salicylonitrile, O-cyanophenol, O-hydroxybenzonitrile, Benzonitrile, 2-hydroxy-

Molecular Formula

C₇H₅NO

Molecular Weight

119.12 g/mol

InChI Key

CHZCERSEMVWNHL-UHFFFAOYSA-N

FDA UNII

51RSM8K1VZ

1 2D Structure

CAS 611-20-1

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-hydroxybenzonitrile

2.1.2 InChI

InChI=1S/C7H5NO/c8-5-6-3-1-2-4-7(6)9/h1-4,9H

2.1.3 InChI Key

CHZCERSEMVWNHL-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC=C(C(=C1)C#N)O

2.2 Other Identifiers

2.2.1 UNII

51RSM8K1VZ

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 2-cyanophenol

2. O-cyanophenol

2.3.2 Depositor-Supplied Synonyms

1. 2-cyanophenol

2. 611-20-1

3. Salicylonitrile

4. O-cyanophenol

5. O-hydroxybenzonitrile

6. Benzonitrile, 2-hydroxy-

7. Salicylnitrile

8. Benzonitrile, Hydroxy-

9. Benzonitrile, O-hydroxy-

10. O-hydoxybenzonitrile

11. 2-hydroxy-benzonitrile

12. Hydroxybenzonitrile

13. 2-hydroxy Benzonitrile

14. Nsc 53558

15. 51rsm8k1vz

16. Nsc-53558

17. Unii-51rsm8k1vz

18. Orthocyanophenol

19. Cyano-phenol

20. 2-cyanphenol

21. 2-cyano Phenol

22. O-hydroxybenzonitril

23. 0r0

24. Nsc53558

25. Einecs 210-259-3

26. Hydroxy Benzonitrile

27. Mfcd00002145

28. Cyanophenol

29. 2-hydroxylbenzonitrile

30. 2-hydroxyphenyl Cyanide

31. Bunitrolol Intermediates

32. Ec 210-259-3

33. Schembl5756

34. Dsstox_cid_21661

35. Dsstox_rid_79807

36. Dsstox_gsid_41661

37. 2-hydroxybenzonitrile, 99%

38. Chembl195342

39. Dtxsid3041661

40. Bdbm36298

41. Zinc388252

42. Act10797

43. Str01814

44. Tox21_302110

45. Stk067741

46. Akos000120269

47. Ac-3142

48. Ccg-302494

49. Cs-w013585

50. Ncgc00255417-01

51. Ncgc00340789-01

52. 69481-42-1

53. Cas-611-20-1

54. Db-030214

55. Am20050114

56. Ft-0612583

57. A21190

58. Ab01333378-02

59. (r)-2-methylsuccinicacid4-tert-butylester

60. 611h201

61. Q-200267

62. Q27260915

63. F0001-1605

64. Z1262398396

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₇H₅NO
Molecular Weight	119.12 g/mol
XLogP3	1.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	119.037113783 g/mol
Monoisotopic Mass	119.037113783 g/mol
Topological Polar Surface Area	44 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	135
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