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    Chemistry

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    Also known as: Bicyclo[4.2.0]octa-1,3,5-trien-7-one, Benzocyclobutenone, 3469-06-5, Gzc3d3h6eb, Nsc-146572, 1-oxocyclobutabenzene
    Molecular Formula
    C8H6O
    Molecular Weight
    118.13  g/mol
    InChI Key
    XOGFXHMYHKGOGP-UHFFFAOYSA-N
    FDA UNII
    GZC3D3H6EB
    AC-101
    1 2D Structure

    AC-101

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    bicyclo[4.2.0]octa-1,3,5-trien-7-one
    2.1.2 InChI
    InChI=1S/C8H6O/c9-8-5-6-3-1-2-4-7(6)8/h1-4H,5H2
    2.1.3 InChI Key
    XOGFXHMYHKGOGP-UHFFFAOYSA-N
    2.2 Other Identifiers
    2.2.1 UNII
    GZC3D3H6EB
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Bicyclo[4.2.0]octa-1,3,5-trien-7-one

    2. Benzocyclobutenone

    3. 3469-06-5

    4. Gzc3d3h6eb

    5. Nsc-146572

    6. 1-oxocyclobutabenzene

    7. Bicyclo(4.2.0)octa-1,3,5-trien-7-one

    8. Dtxsid90188240

    9. Nsc 146572

    10. Refchem:565222

    11. Dtxcid20110731

    12. 828-292-2

    13. Benzocyclobuten-1(2h)-one

    14. Mfcd01652340

    15. Ac-101

    16. Nsc146572

    17. Unii-gzc3d3h6eb

    18. Schembl569873

    19. Schembl22367713

    20. Schembl31070117

    21. Akos004907543

    22. Cs-w022591

    23. Ds-1267

    24. Bicyclo[4.2.0]octa-1,5-trien-7-one

    25. Bicyclo[4.2.0]octa-135-trien-7-one

    26. Sy031738

    27. 7-oxobicyclo[4.2.0]octa-1,3,5-triene

    28. En300-117794

    29. F079402

    30. Bicyclo[4.2.0]octa-1 Pound Not3 Pound Not5-trien-7-one

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 118.13 g/mol
    Molecular Formula C8H6O
    XLogP31.1
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count0
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area17.1
    Heavy Atom Count9
    Formal Charge0
    Complexity140
    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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