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  • 5-Ethynyl-1,3-benzenedicarboxylic acid

    • 5-Ethynyl-1,3-benzenedicarboxylic acid

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    Catalog Number
    ACM432025973
    Product Name
    5-Ethynyl-1,3-benzenedicarboxylic acid
    CAS
    432025-97-3
    Category
    Hydrogen Storage Materials
    Synonyms
    5-Ethynylisophthalicacid
    Description
    MOF linker used for the synthesis of MOFs with pores which can be further functionalized by click chemistry
    IUPAC Name
    5-ethynylbenzene-1,3-dicarboxylic acid
    Molecular Weight
    190.15
    Molecular Formula
    (HO)2C6H2-1,4-(CO2H)2
    Canonical SMILES
    C#CC1=CC(=CC(=C1)C(=O)O)C(=O)O
    InChI
    1S/C10H6O4/c1-2-6-3-7(9(11)12)5-8(4-6)10(13)14/h1,3-5H,(H,11,12)(H,13,14)
    InChI Key
    XKEUZQRIANAGPB-UHFFFAOYSA-N
    Melting Point
    245-255 °C
    Flash Point
    Not applicable
    Purity
    99% (HPLC)
    Appearance
    powder
    Storage
    2-8°C
    Complexity
    277
    Covalently-Bonded Unit Count
    1
    Exact Mass
    190.026609g/mol
    Formal Charge
    0
    Heavy Atom Count
    14
    MDL Number
    MDLnumberMFCD14635840
    Monoisotopic Mass
    190.026609g/mol
    Rotatable Bond Count
    3
    XLogP3
    1.2
    MSDS
    Download MSDS
    COA
    Download COA
    Spec Sheet
    Download Spec Sheet
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