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  • Ethyl 6-[4-(Diphenylamino)phenyl]coumarin-3-carboxylate

  • Ethyl 6-[4-(Diphenylamino)phenyl]coumarin-3-carboxylate

    Catalog Number
    ACM1056693130
    CAS Number
    1056693-13-0
    Product Name
    Ethyl 6-[4-(Diphenylamino)phenyl]coumarin-3-carboxylate
    Structure
    Category
    Coumarin Dyes; Other Materials
    IUPAC Name
    ethyl 2-oxo-6-[4-(N-phenylanilino)phenyl]chromene-3-carboxylate
    Molecular Weight
    461.5g/mol
    Molecular Formula
    C30H23NO4
    Canonical SMILES
    CCOC(=O)C1=CC2=C(C=CC(=C2)C3=CC=C(C=C3)N(C4=CC=CC=C4)C5=CC=CC=C5)OC1=O
    InChI
    InChI=1S/C30H23NO4/c1-2-34-29(32)27-20-23-19-22(15-18-28(23)35-30(27)33)21-13-16-26(17-14-21)31(24-9-5-3-6-10-24)25-11-7-4-8-12-25/h3-20H,2H2,1H3
    InChI Key
    PQYVEQOPURSPHF-UHFFFAOYSA-N
    Complexity
    740
    Covalently-Bonded Unit Count
    1
    Exact Mass
    461.162708g/mol
    Formal Charge
    0
    Heavy Atom Count
    35
    Monoisotopic Mass
    461.162708g/mol
    Rotatable Bond Count
    7
    XLogP3
    7.2
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