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    BUILDING BLOCK

    PharmaCompass

    Chemistry

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    Also known as: 1332855-89-6, 3-benzyloxy-4-oxo-4h-pyran-2-carboxylic acid methyl ester, Methyl 4-oxo-3-phenylmethoxypyran-2-carboxylate, Schembl4545464, Wlz3558, Mfcd32689429
    Molecular Formula
    C14H12O5
    Molecular Weight
    260.24  g/mol
    InChI Key
    ALZICFZRRUCCCD-UHFFFAOYSA-N
    CAS 1332855-89-6
    1 2D Structure

    CAS 1332855-89-6

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    methyl 4-oxo-3-phenylmethoxypyran-2-carboxylate
    2.1.2 InChI
    InChI=1S/C14H12O5/c1-17-14(16)13-12(11(15)7-8-18-13)19-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3
    2.1.3 InChI Key
    ALZICFZRRUCCCD-UHFFFAOYSA-N
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 1332855-89-6

    2. 3-benzyloxy-4-oxo-4h-pyran-2-carboxylic Acid Methyl Ester

    3. Methyl 4-oxo-3-phenylmethoxypyran-2-carboxylate

    4. Schembl4545464

    5. Wlz3558

    6. Mfcd32689429

    7. Sy346117

    8. Db-136463

    9. Cs-0064065

    10. E80930

    2.3 Create Date
    2015-02-12
    3 Chemical and Physical Properties
    Molecular Weight 260.24 g/mol
    Molecular Formula C14H12O5
    XLogP31.9
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count5
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area61.8
    Heavy Atom Count19
    Formal Charge0
    Complexity416
    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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