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  • 5-Cyano-1,3-benzenedicarboxylic acid

    • 5-Cyano-1,3-benzenedicarboxylic acid

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    Catalog Number
    ACM23341131-1
    CAS Number
    23341-13-1
    Product Name
    5-Cyano-1,3-benzenedicarboxylic acid
    Structure
    Category
    Hydrogen Storage Materials; Metal Organic Frameworks (MOFs)
    Synonyms
    5-Cyanoisophthalicacid,H2CyIPT
    Description
    5-Cyano-1,3-benzenedicarboxylic acid (CYDC) is an organic linker that can be used as a ligand in the formation of metal-organic frameworks (MOFs). CYDC is a carboxylate ligand that can be used in the development of new materials for applications in light-emitting diodes (LEDs) and chemical sensors.
    IUPAC Name
    5-cyanobenzene-1,3-dicarboxylic acid
    Molecular Weight
    191.14
    Molecular Formula
    (C21H9)n
    Canonical SMILES
    C1=C(C=C(C=C1C(=O)O)C(=O)O)C#N
    InChI
    1S/C9H5NO4/c10-4-5-1-6(8(11)12)3-7(2-5)9(13)14/h1-3H,(H,11,12)(H,13,14)
    InChI Key
    YKADUTAIRWMMFI-UHFFFAOYSA-N
    Melting Point
    248-252 °C
    Flash Point
    Not applicable
    Purity
    ≥95%
    Appearance
    crystals
    Complexity
    281
    Covalently-Bonded Unit Count
    1
    EC Number
    245-594-4
    Exact Mass
    191.021858g/mol
    Formal Charge
    0
    Heavy Atom Count
    14
    MDL Number
    MDLnumberMFCD16621431
    Monoisotopic Mass
    191.021858g/mol
    Rotatable Bond Count
    2
    XLogP3
    0.7
    MSDS
    Download MSDS
    COA
    Download COA
    Spec Sheet
    Download Spec Sheet
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