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    [2-[(1,3-Benzodioxole-5-carbonylhydrazinylidene)methyl]phenyl] 1,3-benzodioxole-5-carboxylate manufacturers and suppliers on PharmaCompass

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    pharmacompass-2-2026-02-09

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    Chemistry

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    Also known as:
    Molecular Formula
    C23H16N2O7
    Molecular Weight
    432.4  g/mol
    InChI Key
    PBJJYEATSAQQGF-UHFFFAOYSA-N
    [2-[(1,3-Benzodioxole-5-carbonylhydrazinylidene)methyl]phenyl] 1,3-benzodioxole-5-carboxylate
    1 2D Structure

    [2-[(1,3-Benzodioxole-5-carbonylhydrazinylidene)methyl]phenyl] 1,3-benzodioxole-5-carboxylate

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [2-[(1,3-benzodioxole-5-carbonylhydrazinylidene)methyl]phenyl] 1,3-benzodioxole-5-carboxylate
    2.1.2 InChI
    InChI=1S/C23H16N2O7/c26-22(14-5-7-18-20(9-14)30-12-28-18)25-24-11-16-3-1-2-4-17(16)32-23(27)15-6-8-19-21(10-15)31-13-29-19/h1-11H,12-13H2,(H,25,26)
    2.1.3 InChI Key
    PBJJYEATSAQQGF-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1OC2=C(O1)C=C(C=C2)C(=O)NN=CC3=CC=CC=C3OC(=O)C4=CC5=C(C=C4)OCO5
    2.2 Create Date
    2005-07-10
    3 Chemical and Physical Properties
    Molecular Weight 432.4 g/mol
    Molecular Formula C23H16N2O7
    XLogP33.9
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count6
    Exact Mass432.09575085 g/mol
    Monoisotopic Mass432.09575085 g/mol
    Topological Polar Surface Area105 Ų
    Heavy Atom Count32
    Formal Charge0
    Complexity717
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count1
    Covalently Bonded Unit Count1
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