CAS 6304-16-1

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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 Formula	C₈H₉NO
Molecular Weight	135.16 g/mol
XLogP3	0.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	135.068413911 g/mol
Monoisotopic Mass	135.068413911 g/mol
Topological Polar Surface Area	30 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	116
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