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  • 4-(Carboxymethyl)benzoic Acid

    Catalog Number
    ACM501893
    CAS Number
    501-89-3
    Product Name
    4-(Carboxymethyl)benzoic Acid
    Structure
    Category
    Monomers
    IUPAC Name
    4-(carboxymethyl)benzoic acid
    Molecular Weight
    180.16g/mol
    Molecular Formula
    C9H8O4
    Canonical SMILES
    C1=CC(=CC=C1CC(=O)O)C(=O)O
    InChI
    InChI=1S/C9H8O4/c10-8(11)5-6-1-3-7(4-2-6)9(12)13/h1-4H,5H2,(H,10,11)(H,12,13)
    InChI Key
    DMEDOWYXHVUPMO-UHFFFAOYSA-N
    Complexity
    204
    Covalently-Bonded Unit Count
    1
    Exact Mass
    180.042259g/mol
    Formal Charge
    0
    Heavy Atom Count
    13
    Log P
    1.24 (LogP)
    Monoisotopic Mass
    180.042259g/mol
    NSC Number
    2109
    Rotatable Bond Count
    3
    XLogP3
    1.1
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