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  • 1,3,5,7-Adamantanetetracarboxylic Acid

    • 1,3,5,7-Adamantanetetracarboxylic Acid

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    Catalog Number
    ACM100884808-3
    Product Name
    1,3,5,7-Adamantanetetracarboxylic Acid
    Structure
    CAS
    100884-80-8
    Category
    Carboxylic acid MOF ligand-tetracarboxylic acid MOF ligand
    Synonyms
    Adamantane-1,3,5,7-tetracarboxylic acid; H4ATC; adamantanetetracarboxylate; Tricyclo[3.3.1.13,7]decane-1,3,5,7-tetracarboxylic acid
    IUPAC Name
    adamantane-1,3,5,7-tetracarboxylic acid
    Molecular Weight
    312.28
    Molecular Formula
    C14H16O8
    Canonical SMILES
    C1C2(CC3(CC1(CC(C2)(C3)C(=O)O)C(=O)O)C(=O)O)C(=O)O
    InChI
    InChI=1S/C14H16O8/c15-7(16)11-1-12(8(17)18)4-13(2-11,9(19)20)6-14(3-11,5-12)10(21)22/h1-6H2,(H,15,16)(H,17,18)(H,19,20)(H,21,22)
    InChI Key
    VWAIZPYLEYEEFK-UHFFFAOYSA-N
    Purity
    98%
    Appearance
    White solid
    Complexity
    460
    Compound Is Canonicalized
    Yes
    Covalently-Bonded Unit Count
    1
    Defined Atom Stereocenter Count
    0
    Defined Bond Stereocenter Count
    0
    Exact Mass
    312.08451746g/mol
    Formal Charge
    0
    Heavy Atom Count
    22
    Hydrogen Bond Acceptor Count
    8
    Hydrogen Bond Donor Count
    4
    Isotope Atom Count
    0
    Monoisotopic Mass
    312.08451746g/mol
    Rotatable Bond Count
    4
    Topological Polar Surface Area
    149Ų
    Undefined Atom Stereocenter Count
    0
    Undefined Bond Stereocenter Count
    0
    XLogP3
    -0.9
    MSDS
    Download MSDS
    COA
    Download COA
    Spec Sheet
    Download Spec Sheet
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