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  • 4'-Formylbenzo-15-crown 5-ether

  • 4'-Formylbenzo-15-crown 5-ether

    Catalog Number
    ACM60835736
    Product Name
    4'-Formylbenzo-15-crown 5-ether
    Structure
    CAS
    60835-73-6
    Category
    Macrocycles
    IUPAC Name
    2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene-17-carbaldehyde
    Molecular Weight
    296.31g/mol
    Molecular Formula
    C15H20O6
    Canonical SMILES
    C1COCCOC2=C(C=C(C=C2)C=O)OCCOCCO1
    InChI
    InChI=1S/C15H20O6/c16-12-13-1-2-14-15(11-13)21-10-8-19-6-4-17-3-5-18-7-9-20-14/h1-2,11-12H,3-10H2
    InChI Key
    MBJIKIAWNPEHOR-UHFFFAOYSA-N
    Purity
    >98.0%(GC)
    Complexity
    285
    Covalently-Bonded Unit Count
    1
    Exact Mass
    296.125988g/mol
    Formal Charge
    0
    Heavy Atom Count
    21
    Monoisotopic Mass
    296.125988g/mol
    NSC Number
    288923
    Rotatable Bond Count
    1
    XLogP3
    0.5
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