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2D Structure
Also known as: 636-93-1, 5-nitroguaiacol, Phenol, 2-methoxy-5-nitro-, 2-methoxy-5-nitro-phenol, 3-hydroxy-4-methoxynitrobenzene, 2-hydroxy-4-nitroanisole
Molecular Formula
C7H7NO4
Molecular Weight
169.13  g/mol
InChI Key
KXKCTSZYNCDFFG-UHFFFAOYSA-N
FDA UNII
E5T11I2JUB

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-methoxy-5-nitrophenol
2.1.2 InChI
InChI=1S/C7H7NO4/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4,9H,1H3
2.1.3 InChI Key
KXKCTSZYNCDFFG-UHFFFAOYSA-N
2.1.4 Canonical SMILES
COC1=C(C=C(C=C1)[N+](=O)[O-])O
2.2 Other Identifiers
2.2.1 UNII
E5T11I2JUB
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 636-93-1

2. 5-nitroguaiacol

3. Phenol, 2-methoxy-5-nitro-

4. 2-methoxy-5-nitro-phenol

5. 3-hydroxy-4-methoxynitrobenzene

6. 2-hydroxy-4-nitroanisole

7. Mfcd00015561

8. E5t11i2jub

9. Unii-e5t11i2jub

10. Einecs 211-269-0

11. 2-methoxy-5-nitro Phenol

12. 2-methyloxy-5-nitrophenol

13. Cambridge Id 5108253

14. Guaiacol, 5-nitro-

15. Schembl443353

16. Ghl.pd_mitscher_leg0.1131

17. 3-nitro-6-methoxyphenol

18. Dtxsid1047021

19. 2-methoxy-5-nitrophenol, 98%

20. Chebi:81049

21. 4-nitro-2-hydroxyanisole

22. Zinc295034

23. Albb-025040

24. Cs-b1762

25. 2-hydroxy-1-methoxy-4-nitrobenzene

26. 3-hydroxy-4-methoxy-1-nitrobenzene

27. Stl411904

28. Akos000121448

29. Ps-4080

30. Ac-10141

31. Bp-21455

32. Sy017638

33. Db-021281

34. Am20050145

35. Ft-0620707

36. N0498

37. C17385

38. 636m931

39. A868062

40. Ae-641/00127024

41. W-104886

42. Q27155007

43. L8q

2.4 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 169.13 g/mol
Molecular Formula C7H7NO4
XLogP31.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass169.03750770 g/mol
Monoisotopic Mass169.03750770 g/mol
Topological Polar Surface Area75.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity167
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1