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    3-Aminobenzoic Acid;4-(Aminomethyl)Benzoic Acid manufacturers and suppliers on PharmaCompass

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    3-Aminobenzoic Acid;4-(Aminomethyl)Benzoic Acid

    Manufacturers/Suppliers

    PharmaCompass
    • Chemistry
    3-Aminobenzoic Acid;4-(Aminomethyl)Benzoic Acid
    Also known as: Schembl4654815
    Molecular Formula
    C15H16N2O4
    Molecular Weight
    288.30  g/mol
    InChI Key
    UZEUHSIFVJICAT-UHFFFAOYSA-N
    1 2D Structure

    3-Aminobenzoic Acid;4-(Aminomethyl)Benzoic Acid

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-aminobenzoic acid;4-(aminomethyl)benzoic acid
    2.1.2 InChI
    InChI=1S/C8H9NO2.C7H7NO2/c9-5-6-1-3-7(4-2-6)8(10)11;8-6-3-1-2-5(4-6)7(9)10/h1-4H,5,9H2,(H,10,11);1-4H,8H2,(H,9,10)
    2.1.3 InChI Key
    UZEUHSIFVJICAT-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC(=CC(=C1)N)C(=O)O.C1=CC(=CC=C1CN)C(=O)O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. Schembl4654815

    2.3 Create Date
    2012-11-30
    3 Chemical and Physical Properties
    Molecular Weight 288.30 g/mol
    Molecular Formula C15H16N2O4
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count3
    Exact Mass288.11100700 g/mol
    Monoisotopic Mass288.11100700 g/mol
    Topological Polar Surface Area127 Ų
    Heavy Atom Count21
    Formal Charge0
    Complexity275
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
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