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  • 1,1-Cyclopropanedicarboxylic Acid

  • 1,1-Cyclopropanedicarboxylic Acid

    Catalog Number
    ACM598107
    CAS Number
    598-10-7
    Product Name
    1,1-Cyclopropanedicarboxylic Acid
    Category
    Monomers
    IUPAC Name
    cyclopropane-1,1-dicarboxylic acid
    Molecular Weight
    130.1g/mol
    Molecular Formula
    C5H6O4
    Canonical SMILES
    C1CC1(C(=O)O)C(=O)O
    InChI
    InChI=1S/C5H6O4/c6-3(7)5(1-2-5)4(8)9/h1-2H2,(H,6,7)(H,8,9)
    InChI Key
    FDKLLWKMYAMLIF-UHFFFAOYSA-N
    Application
    1,1-Cyclopropanedicarboxylic Acid, a white to almost white crystalline powder, serves several important roles in chemical synthesis and research. Primarily, it is utilized as an inhibitor of 1-aminocyclopropane-1-carboxylic acid oxidase, a function which has been quantified in Lycopersicum esculentum using HPLC-electrospray tandem mass spectrometry. Moreover, its structural properties have been well-documented, providing a foundation for its use in preparing innovative heterocyclic derivatives, such as those containing thiadiazole and 1,2,4-triazole moieties, as well as spiro-cyclopropyl metallocycles. Additionally, this compound acts as a building block for synthesizing cyclopropanecarboxamides, which are noted for their antifungal activity, thereby highlighting its versatility and utility in various chemical applications.
    Complexity
    152
    Covalently-Bonded Unit Count
    1
    EC Number
    209-917-2
    Exact Mass
    130.026609g/mol
    Formal Charge
    0
    Heavy Atom Count
    9
    MeSH Entry Terms
    1,1-cyclopropanedicarboxylate;CPrDCA
    Monoisotopic Mass
    130.026609g/mol
    NSC Number
    626865
    Rotatable Bond Count
    2
    XLogP3
    -0.2
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