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  • [2.2]Paracyclophane

    • [2.2]Paracyclophane

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    Catalog Number
    ACM1633223
    Product Name
    [2.2]Paracyclophane
    Structure
    CAS
    1633-22-3
    Category
    Macrocycles
    IUPAC Name
    tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene
    Molecular Weight
    208.3g/mol
    Molecular Formula
    C16H16
    Canonical SMILES
    C1CC2=CC=C(CCC3=CC=C1C=C3)C=C2
    InChI
    InChI=1S/C16H16/c1-2-14-4-3-13(1)9-10-15-5-7-16(8-6-15)12-11-14/h1-8H,9-12H2
    InChI Key
    OOLUVSIJOMLOCB-UHFFFAOYSA-N
    Complexity
    156
    Covalently-Bonded Unit Count
    1
    EC Number
    216-644-2
    Exact Mass
    208.125201g/mol
    Formal Charge
    0
    Heavy Atom Count
    16
    Log P
    4.33 (LogP)
    MeSH Entry Terms
    (2.2)paracyclophane;(3.3)paracyclophane
    Monoisotopic Mass
    208.125201g/mol
    NSC Number
    91575
    Rotatable Bond Count
    0
    UNII
    0I9PQB142O
    XLogP3
    3.7
    MSDS
    Download MSDS
    COA
    Download COA
    Spec Sheet
    Download Spec Sheet
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