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    BUILDING BLOCK

    PharmaCompass

    Chemistry

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    Also known as: 261-27-8, 5h-chromeno[2,3-b]pyridine, 5h-[1]-benzopyrano[2,3-b]pyridine, Chromeno[2,3-b]pyridine, Schembl1648508, Dtxsid50483581
    Molecular Formula
    C12H9NO
    Molecular Weight
    183.21  g/mol
    InChI Key
    MXIYRNSRKGMBLQ-UHFFFAOYSA-N
    CAS 261-27-8
    1 2D Structure

    CAS 261-27-8

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    5H-chromeno[2,3-b]pyridine
    2.1.2 InChI
    InChI=1S/C12H9NO/c1-2-6-11-9(4-1)8-10-5-3-7-13-12(10)14-11/h1-7H,8H2
    2.1.3 InChI Key
    MXIYRNSRKGMBLQ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1C2=C(N=CC=C2)OC3=CC=CC=C31
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 261-27-8

    2. 5h-chromeno[2,3-b]pyridine

    3. 5h-[1]-benzopyrano[2,3-b]pyridine

    4. Chromeno[2,3-b]pyridine

    5. Schembl1648508

    6. Dtxsid50483581

    7. Mfcd11558949

    8. Zinc39199207

    9. Akos006318583

    10. As-61145

    11. Sy113519

    12. Cs-0197092

    13. Ft-0655047

    14. A12359

    15. A818192

    2.3 Create Date
    2007-02-07
    3 Chemical and Physical Properties
    Molecular Weight 183.21 g/mol
    Molecular Formula C12H9NO
    XLogP32.7
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count0
    Exact Mass183.068413911 g/mol
    Monoisotopic Mass183.068413911 g/mol
    Topological Polar Surface Area22.1 Ų
    Heavy Atom Count14
    Formal Charge0
    Complexity207
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

    BUILDING BLOCK

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