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  • 4-Formylbenzonitrile

    • 4-Formylbenzonitrile

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    Catalog Number
    ACM105077-1
    CAS Number
    105-07-7
    Product Name
    4-Formylbenzonitrile
    Structure
    Category
    Liquid Crystal (LC) Building Blocks
    IUPAC Name
    4-formylbenzonitrile
    Molecular Weight
    131.13g/mol
    Molecular Formula
    C8H5NO
    Canonical SMILES
    C1=CC(=CC=C1C=O)C#N
    InChI
    InChI=1S/C8H5NO/c9-5-7-1-3-8(6-10)4-2-7/h1-4,6H
    InChI Key
    WZWIQYMTQZCSKI-UHFFFAOYSA-N
    Melting Point
    100.5 °C
    Complexity
    159
    Covalently-Bonded Unit Count
    1
    EC Number
    203-267-3
    Exact Mass
    131.037114g/mol
    Formal Charge
    0
    Heavy Atom Count
    10
    MeSH Entry Terms
    4-cyanobenzaldehyde
    Monoisotopic Mass
    131.037114g/mol
    NSC Number
    5091
    Rotatable Bond Count
    1
    UNII
    DWH62Y9TCA
    XLogP3
    1.2
    MSDS
    Download MSDS
    COA
    Download COA
    Spec Sheet
    Download Spec Sheet
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