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    1-(1,3-Benzodioxol-5-yl)propan-1-one

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    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
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