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2D Structure
Also known as: 6322-56-1, Dtxsid60212586, Nsc 32113, Dtxcid90135077, Mmnkvwgvshrijl-uhfffaoysa-n, 4'-hydroxy-3'-nitroacetophenone
Molecular Formula
C8H7NO4
Molecular Weight
181.15  g/mol
InChI Key
MMNKVWGVSHRIJL-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-(4-hydroxy-3-nitrophenyl)ethanone
2.1.2 InChI
InChI=1S/C8H7NO4/c1-5(10)6-2-3-8(11)7(4-6)9(12)13/h2-4,11H,1H3
2.1.3 InChI Key
MMNKVWGVSHRIJL-UHFFFAOYSA-N
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 6322-56-1

2. Dtxsid60212586

3. Nsc 32113

4. Dtxcid90135077

5. Mmnkvwgvshrijl-uhfffaoysa-n

6. 4'-hydroxy-3'-nitroacetophenone

7. 1-(4-hydroxy-3-nitrophenyl)ethanone

8. 4-acetyl-2-nitro-phenol

9. Ethanone, 1-(4-hydroxy-3-nitrophenyl)-

10. 1-(4-hydroxy-3-nitrophenyl)ethan-1-one

11. Mfcd00017002

12. 1-(4-hydroxy-3-nitro-phenyl)-ethanone

13. 4'-hydroxy-3'-nitroacetophenone, >95%

14. 4'-hydroxy-3'-nitroacetophenone, >95per Cent

15. 1-[4-hydroxy-3-nitrophenyl]ethanone

16. 1-(4-hydroxy-3-nitrophenyl)-1-ethanone

17. 2-nitro-4-acetylphenol

18. 4-acetyl-2-nitrophenol

19. 3'-nitro-4'-hydroxyacetophenone; 4-acetyl-2-nitrophenol; 4-hydroxy-3-nitroacetophenone; 1-(4-hydroxy-3-nitrophenyl)ethanone; 2-nitro-4-acetylphenol; Nsc 32113

20. Nsc32113

21. Schembl532487

22. Schembl17347336

23. 4-hydroxy-3-nitrophenyl-ethanone

24. 4`-hydroxy-3`-nitroacetophenone

25. Acetophenone, 4-hydroxy-3-nitro-

26. 4\'-hydroxy-3\'-nitroacetophenone

27. Nsc-32113

28. Stl282767

29. Akos000446959

30. Ac-4826

31. Cs-w017168

32. Fh24225

33. Hb-0708

34. 4'-hydroxy-3'-nitroacetophenone, 98%

35. Sy018588

36. H0968

37. Ns00035389

38. En300-115164

39. 4-hydroxy-3-nitroacetophenone; 3-nitro-4-hydroxy Acetophenone

40. 3'-nitro-4'-hydroxyacetophenone;4-acetyl-2-nitrophenol;4-hydroxy-3-nitroacetophenone

41. 4 Inverted Exclamation Mark -hydroxy-3 Inverted Exclamation Mark -nitroacetophenone

42. 4 Inverted Exclamation Marka-hydroxy-3 Inverted Exclamation Marka-nitroacetophenone

2.3 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 181.15 g/mol
Molecular Formula C8H7NO4
XLogP31.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass Da
Monoisotopic Mass Da
Topological Polar Surface Area83.1
Heavy Atom Count13
Formal Charge0
Complexity223
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1