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    Chemistry

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    Also known as: (3aalpha,4alpha,7alpha,7aalpha)- 3a,4,7,7a-tetrahydro-2-(4-nitro-1-naphthalenyl)-4,7-ethano-1h-isoindole-1,3(2h)-dione, Hyq, Db04709, (3ar,4r,7s,7as)-2-(4-nitronaphthalen-1-yl)hexahydro-1h-4,7-ethanoisoindole-1,3(2h)-dione
    Molecular Formula
    C20H18N2O4
    Molecular Weight
    350.4  g/mol
    InChI Key
    DEJXHCDDTLTVNB-RQRATOPWSA-N
    Hyq
    1 2D Structure

    Hyq

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2R,6S)-4-(4-nitronaphthalen-1-yl)-4-azatricyclo[5.2.2.02,6]undecane-3,5-dione
    2.1.2 InChI
    InChI=1S/C20H18N2O4/c23-19-17-11-5-6-12(8-7-11)18(17)20(24)21(19)15-9-10-16(22(25)26)14-4-2-1-3-13(14)15/h1-4,9-12,17-18H,5-8H2/t11?,12?,17-,18+
    2.1.3 InChI Key
    DEJXHCDDTLTVNB-RQRATOPWSA-N
    2.1.4 Canonical SMILES
    C1CC2CCC1C3C2C(=O)N(C3=O)C4=CC=C(C5=CC=CC=C54)[N+](=O)[O-]
    2.1.5 Isomeric SMILES
    C1CC2CCC1[C@H]3[C@@H]2C(=O)N(C3=O)C4=CC=C(C5=CC=CC=C54)[N+](=O)[O-]
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. (3aalpha,4alpha,7alpha,7aalpha)- 3a,4,7,7a-tetrahydro-2-(4-nitro-1-naphthalenyl)-4,7-ethano-1h-isoindole-1,3(2h)-dione

    2. Hyq

    3. Db04709

    4. (3ar,4r,7s,7as)-2-(4-nitronaphthalen-1-yl)hexahydro-1h-4,7-ethanoisoindole-1,3(2h)-dione

    2.3 Create Date
    2006-01-26
    3 Chemical and Physical Properties
    Molecular Weight 350.4 g/mol
    Molecular Formula C20H18N2O4
    XLogP34.1
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count1
    Exact Mass350.12665706 g/mol
    Monoisotopic Mass350.12665706 g/mol
    Topological Polar Surface Area83.2 Ų
    Heavy Atom Count26
    Formal Charge0
    Complexity606
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

    API Reference Price

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    23-Feb-2021
    17-Oct-2024
    KGS
    overview
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    Average Price (USD/KGS)

    Number of Transactions

    Total Quantity (KGS)

    Total Value (USD)

    Quantity (KGS) & Unit rate (USD/KGS) over time

    API Imports and Exports

    Importing Country Total Quantity
    (KGS)    		 Average Price
    (USD/KGS)    		 Number of Transactions

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