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Overview of 3'-Methoxypropiophenone

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4CH-015608
PharmaCompass
4CH-015608
Also known as: 37951-49-8, 1-(3-methoxyphenyl)propan-1-one, 1-(3-methoxyphenyl)-1-propanone, 1-propanone, 1-(3-methoxyphenyl)-, Lpdjhuuwtgxtcu-uhfffaoysa-n, 3'-methoxypropiophenon
Molecular Formula
C10H12O2
Molecular Weight
164.204  g/mol
InChI Key
LPDJHUUWTGXTCU-UHFFFAOYSA-N

1 2D Structure

4CH-015608

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-(3-methoxyphenyl)propan-1-one
2.1.2 InChI
InChI=1S/C10H12O2/c1-3-10(11)8-5-4-6-9(7-8)12-2/h4-7H,3H2,1-2H3
2.1.3 InChI Key
LPDJHUUWTGXTCU-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCC(=O)C1=CC(=CC=C1)OC
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 37951-49-8

2. 1-(3-methoxyphenyl)propan-1-one

3. 1-(3-methoxyphenyl)-1-propanone

4. 1-propanone, 1-(3-methoxyphenyl)-

5. Lpdjhuuwtgxtcu-uhfffaoysa-n

6. 3'-methoxypropiophenon

7. Einecs 253-729-3

8. Ac1lblgi

9. 3;-methoxypropiophenone

10. Ac1q5dmb

11. 3-methoxyphenyl Ethyl Ketone

12. Schembl733307

13. Ctk1c4285

14. Dtxsid80191389

15. Molport-006-127-707

16. Bcp21927

17. Ebd28746

18. 1-(3-methoxy-phenyl)-propan-1-one

19. Anw-51400

20. Zinc32172004

21. 1-(3-methoxyphenyl)-1-propanone #

22. Akos010015726

23. 1-[3-(methyloxy)phenyl]-1-propanone

24. Gs-4370

25. Mcule-7878655997

26. Rp22716

27. Ks-00000c65

28. Aj-84878

29. Ak-47465

30. Br-47465

31. Cj-17906

32. Sc-50883

33. Sy030430

34. Ab0024576

35. St2417200

36. Tr-030620

37. 4ch-015608

38. Cs-0005775

39. Ft-0650399

40. W5873

41. En300-84052

42. Mfcd08458823 (97%)

43. S-1781

44. 3 Inverted Exclamation Mark -methoxypropiophenone

45. A823948

46. I01-7309

47. J-512800

48. Z1258578231

2.3 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 164.204 g/mol
Molecular Formula C10H12O2
XLogP32.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass164.084 g/mol
Monoisotopic Mass164.084 g/mol
Topological Polar Surface Area26.3 A^2
Heavy Atom Count12
Formal Charge0
Complexity154
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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