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  • 4-Nitro-1,2,3,6,7,8-hexahydropyrene

  • 4-Nitro-1,2,3,6,7,8-hexahydropyrene

    Catalog Number
    ACM88535471
    CAS Number
    88535-47-1
    Product Name
    4-Nitro-1,2,3,6,7,8-hexahydropyrene
    Category
    Small Molecule Semiconductor Building Blocks; Semiconductor Blocks
    IUPAC Name
    4-nitro-1,2,3,6,7,8-hexahydropyrene
    Molecular Weight
    253.3
    Molecular Formula
    C16H15NO2
    Canonical SMILES
    C1CC2=C3C(=CC(=C4C3=C(CCC4)C=C2)[N+](=O)[O-])C1
    InChI
    InChI=1S/C16H15NO2/c18-17(19)14-9-12-5-1-3-10-7-8-11-4-2-6-13(14)16(11)15(10)12/h7-9H,1-6H2
    InChI Key
    KVZSMBRWPWEQHJ-UHFFFAOYSA-N
    Melting Point
    92 °C
    Purity
    >98.0%(HPLC)(N)
    Appearance
    White to Yellow to Green powder to crystal
    Complexity
    377
    Covalently-Bonded Unit Count
    1
    Exact Mass
    253.110279g/mol
    Formal Charge
    0
    Heavy Atom Count
    19
    MDL Number
    MFCD27964325
    Monoisotopic Mass
    253.110279g/mol
    Rotatable Bond Count
    0
    XLogP3
    4.7
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