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    2-Furanacrylonitrile, (E)- manufacturers and suppliers on PharmaCompass

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    2-Furanacrylonitrile, (E)-

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    2-Furanacrylonitrile, (E)-
    Also known as: 3-(furan-2-yl)prop-2-enenitrile, (e)-3-(furan-2-yl)acrylonitrile, Furanacrylonitrile, (2e)-3-(furan-2-yl)prop-2-enenitrile, Schembl247148, Dtxsid50871186
    Molecular Formula
    C7H5NO
    Molecular Weight
    119.12  g/mol
    InChI Key
    ZHKAQNFBQHPERX-UHFFFAOYSA-N
    1 2D Structure

    2-Furanacrylonitrile, (E)-

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-(furan-2-yl)prop-2-enenitrile
    2.1.2 InChI
    InChI=1S/C7H5NO/c8-5-1-3-7-4-2-6-9-7/h1-4,6H
    2.1.3 InChI Key
    ZHKAQNFBQHPERX-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=COC(=C1)C=CC#N
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 3-(furan-2-yl)prop-2-enenitrile

    2. (e)-3-(furan-2-yl)acrylonitrile

    3. Furanacrylonitrile

    4. (2e)-3-(furan-2-yl)prop-2-enenitrile

    5. Schembl247148

    6. Dtxsid50871186

    7. Zhkaqnfbqhperx-uhfffaoysa-n

    8. Sb61038

    9. Db-055580

    2.3 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 119.12 g/mol
    Molecular Formula C7H5NO
    XLogP31.4
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count1
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area36.9
    Heavy Atom Count9
    Formal Charge0
    Complexity154
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count1
    Covalently Bonded Unit Count1
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