Please Wait
Applying Filters...
Menu
Xls
2D Structure
Also known as: 28281-49-4, 1-(benzo[d][1,3]dioxol-5-yl)propan-1-one, 3',4'-(methylenedioxy)propiophenone, 1-(1,3-benzodioxol-5-yl)propan-1-one, 1-propanone, 1-(1,3-benzodioxol-5-yl)-, 3',4'-methylenedioxypropiophenone
Molecular Formula
C10H10O3
Molecular Weight
178.18  g/mol
InChI Key
RVBJGSPBFIUTTR-UHFFFAOYSA-N
FDA UNII
79S7K6SNO8

1-(1,3-Benzodioxol-5-yl)-1-propanone is a natural product found in Piper marginatum with data available.
1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-(1,3-benzodioxol-5-yl)propan-1-one
2.1.2 InChI
InChI=1S/C10H10O3/c1-2-8(11)7-3-4-9-10(5-7)13-6-12-9/h3-5H,2,6H2,1H3
2.1.3 InChI Key
RVBJGSPBFIUTTR-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCC(=O)C1=CC2=C(C=C1)OCO2
2.2 Other Identifiers
2.2.1 UNII
79S7K6SNO8
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 28281-49-4

2. 1-(benzo[d][1,3]dioxol-5-yl)propan-1-one

3. 3',4'-(methylenedioxy)propiophenone

4. 1-(1,3-benzodioxol-5-yl)propan-1-one

5. 1-propanone, 1-(1,3-benzodioxol-5-yl)-

6. 3',4'-methylenedioxypropiophenone

7. 3,4-methylenedioxypropiophenone

8. Nsc 29484

9. 5-propanoyl-1,3-benzodioxole

10. 3,4-(methylenedioxy)propiophenone

11. 1-(2h-1,3-benzodioxol-5-yl)propan-1-one

12. Einecs 248-937-6

13. Propiophenone, 3',4'-(methylenedioxy)-

14. Ai3-31258

15. 79s7k6sno8

16. Mfcd00016652

17. Nsc-29484

18. 5-propionyl-1,3-benzodioxole

19. Ec 248-937-6

20. 1-(benzo(d)(1,3)dioxol-5-yl)propan-1-one

21. 3,4-methylenedioxy Propiophenone

22. Nsc29484

23. 3,4-methylenedioxyphenyl Ethyl Ketone

24. 3,4-(methylenedioxyphenyl)-1-propanone

25. Unii-79s7k6sno8

26. 5-propanoylbenzo[1,3]dioxol

27. Chembl453952

28. Schembl1092123

29. Dtxsid00182532

30. Chebi:167427

31. Bcp13662

32. Akos009159521

33. Ac-9516

34. Cs-w017337

35. (3,4-methylenedioxyphenyl)-1-propanone

36. As-64770

37. Sy106387

38. 1-(1,3-benzodioxol-5-yl)-propan-1-one

39. Ls-122728

40. Ft-0605589

41. Ft-0614406

42. 3',4'-(methylenedioxy)propiophenone, Aldrichcpr

43. A819401

44. J-017030

45. Q4634056

46. 1-(benz(d)(1,3)dioxol-5-yl)propan-1-one

47. 10-(2-aminoethylsulfanyl)-10-hydroxy-phenanthren-9-one Hydrochloride

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 178.18 g/mol
Molecular Formula C10H10O3
XLogP31.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area35.5
Heavy Atom Count13
Formal Charge0
Complexity202
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1