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    BUILDING BLOCK

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    Chemistry

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    Also known as: 77095-51-3, 1-benzofuran-6-carboxylic acid, 6-benzofurancarboxylic acid, Mfcd01006751, 6-benzofurancarboxylicacid, Schembl879386
    Molecular Formula
    C9H6O3
    Molecular Weight
    162.14  g/mol
    InChI Key
    RVDHGRQELZPGCO-UHFFFAOYSA-N
    CAS 77095-51-3
    1 2D Structure

    CAS 77095-51-3

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-benzofuran-6-carboxylic acid
    2.1.2 InChI
    InChI=1S/C9H6O3/c10-9(11)7-2-1-6-3-4-12-8(6)5-7/h1-5H,(H,10,11)
    2.1.3 InChI Key
    RVDHGRQELZPGCO-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC(=CC2=C1C=CO2)C(=O)O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 77095-51-3

    2. 1-benzofuran-6-carboxylic Acid

    3. 6-benzofurancarboxylic Acid

    4. Mfcd01006751

    5. 6-benzofurancarboxylicacid

    6. Schembl879386

    7. Benzo[b]furan-6-carboxylic Acid

    8. Dtxsid30591395

    9. Bcp16992

    10. Zinc5428878

    11. Cyclopenta[c]pyran-7-carboxylic Acid

    12. Akos006274780

    13. Cs-w020469

    14. Mb01639

    15. Ac-29750

    16. Da-19695

    17. Ds-11168

    18. Sy046615

    19. Am20041150

    20. Ft-0645503

    21. A838957

    22. J-519749

    2.3 Create Date
    2007-12-04
    3 Chemical and Physical Properties
    Molecular Weight 162.14 g/mol
    Molecular Formula C9H6O3
    XLogP31.9
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count1
    Exact Mass162.031694049 g/mol
    Monoisotopic Mass162.031694049 g/mol
    Topological Polar Surface Area50.4 Ų
    Heavy Atom Count12
    Formal Charge0
    Complexity190
    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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