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CAS 6304-16-1
Also known as: 6304-16-1, 4-pyridyl acetone, 1-(4-pyridinyl)-2-propanone, 1-(pyridin-4-yl)propan-2-one, 4-pyridinylacetone, 1-(4-pyridyl)acetone
Molecular Formula
C8H9NO
Molecular Weight
135.16  g/mol
InChI Key
ILRVKOYYFFNXDB-UHFFFAOYSA-N
FDA UNII
R6ONM9F2AU

1 2D Structure

CAS 6304-16-1

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-pyridin-4-ylpropan-2-one
2.1.2 InChI
InChI=1S/C8H9NO/c1-7(10)6-8-2-4-9-5-3-8/h2-5H,6H2,1H3
2.1.3 InChI Key
ILRVKOYYFFNXDB-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC(=O)CC1=CC=NC=C1
2.2 Other Identifiers
2.2.1 UNII
R6ONM9F2AU
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 6304-16-1

2. 4-pyridyl Acetone

3. 1-(4-pyridinyl)-2-propanone

4. 1-(pyridin-4-yl)propan-2-one

5. 4-pyridinylacetone

6. 1-(4-pyridyl)acetone

7. 4-acetonylpyridine

8. 4-pyridylacetone

9. 1-pyridin-4-ylpropan-2-one

10. 2-propanone, 1-(4-pyridinyl)-

11. R6onm9f2au

12. Mfcd00129043

13. Nsc-42613

14. 1-pyridin-4-yl-2-oxo-propane

15. 1-(4-pyridyl)-2-propanone

16. Unii-r6onm9f2au

17. 1-(4-pyridyl)-2-acetone

18. Nsc42613

19. Einecs 228-605-7

20. 1-(4-pyridinyl)acetone

21. 1-(4-pyridinyl)propanone

22. 1-(4-pyridinyl)acetone #

23. 4-(2'-oxopropyl)-pyridine

24. Schembl48403

25. 1-pyridin-4-yl-2-propanone

26. 1-pyridin-4-yl-propan-2-one

27. 4-pyridinylmethyl Methyl Ketone

28. Dtxsid20212325

29. (4-pyridinyl)methyl Methyl Ketone

30. Bcp13413

31. Zinc8294938

32. Methyl 4-pyridylmethyl Ketone

33. Nsc 42613

34. 2-propanone, (4-pyridyl)-

35. Akos009097741

36. Cs-w002401

37. Ds-1184

38. 2-propanone, 1-(4-pyridyl)-

39. Ac-19864

40. Sy002437

41. Ts-01741

42. Db-054385

43. Ft-0605776

44. P2039

45. 304p161

46. A834175

47. J-503620

48. Q27287862

49. F0001-1710

50. Z1442184030

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 135.16 g/mol
Molecular Formula C8H9NO
XLogP30.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass135.068413911 g/mol
Monoisotopic Mass135.068413911 g/mol
Topological Polar Surface Area30 Ų
Heavy Atom Count10
Formal Charge0
Complexity116
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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