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    CAS 129101-37-7

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    CAS 129101-37-7
    Also known as: 129101-37-7, (r)-6-fluoro-3,4-dihydro-2h-1-benzopyran-2-carboxylic acid, (r)-6-fluoro-3,4-dihydro-2h-1-benzopyran-2-carboxylicacid, (2r)-6-fluoro-3,4-dihydro-2h-chromene-2-carboxylic acid, Schembl1737016, Dtxsid101189254
    Molecular Formula
    C10H9FO3
    Molecular Weight
    196.17  g/mol
    InChI Key
    ZNJANLXCXMVFFI-SECBINFHSA-N
    1 2D Structure

    CAS 129101-37-7

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2R)-6-fluoro-3,4-dihydro-2H-chromene-2-carboxylic acid
    2.1.2 InChI
    InChI=1S/C10H9FO3/c11-7-2-4-8-6(5-7)1-3-9(14-8)10(12)13/h2,4-5,9H,1,3H2,(H,12,13)/t9-/m1/s1
    2.1.3 InChI Key
    ZNJANLXCXMVFFI-SECBINFHSA-N
    2.1.4 Canonical SMILES
    C1CC2=C(C=CC(=C2)F)OC1C(=O)O
    2.1.5 Isomeric SMILES
    C1CC2=C(C=CC(=C2)F)O[C@H]1C(=O)O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 129101-37-7

    2. (r)-6-fluoro-3,4-dihydro-2h-1-benzopyran-2-carboxylic Acid

    3. (r)-6-fluoro-3,4-dihydro-2h-1-benzopyran-2-carboxylicacid

    4. (2r)-6-fluoro-3,4-dihydro-2h-chromene-2-carboxylic Acid

    5. Schembl1737016

    6. Dtxsid101189254

    7. 2h-1-benzopyran-2-carboxylic Acid, 6-fluoro-3,4-dihydro-, (2r)-

    8. Mfcd09955074

    9. Zb1813

    10. Zinc19616003

    11. (r)-6-fluorochroman-2-carboxylicacid

    12. Akos006314748

    13. (r)-6-fluorochromane-2-carboxylic Acid

    14. Ds-17355

    15. Cs-0042549

    16. J3.501.654f

    17. C13555

    18. 101f377

    19. A925240

    20. (2r)-6-fluoro-3,4-dihydro-2h-1-benzopyran-2beta-carboxylic Acid

    21. (2r)-6-fluoro-3,4-dihydro-2h-1-benzopyran-2-carboxylic Acid

    2.3 Create Date
    2009-05-28
    3 Chemical and Physical Properties
    Molecular Weight 196.17 g/mol
    Molecular Formula C10H9FO3
    XLogP32
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count1
    Exact Mass196.05357231 g/mol
    Monoisotopic Mass196.05357231 g/mol
    Topological Polar Surface Area46.5 Ų
    Heavy Atom Count14
    Formal Charge0
    Complexity231
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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