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    DRL offers a portfolio of products & services, including APIs, CMO services, generics, biosimilars & differentiated formulations.

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    Valsynthese, part of the SSE Group, is a CDMO focused on highly energetic and highly hazardous chemistry.

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    Bloomage is a one-stop source for CEP Sodium Hyaluronate and Hyaluronic Acid// FDA-inspected & GMP-certified.

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    BUILDING BLOCK

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    Chemistry

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    Also known as:
    Molecular Formula
    C13H13NO3S
    Molecular Weight
    263.31  g/mol
    InChI Key
    VBAMDWNNTNVLAV-UHFFFAOYSA-N
    CAS 161797-99-5
    1 2D Structure

    CAS 161797-99-5

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    ethyl 4-methyl-2-(4-oxocyclohexa-2,5-dien-1-ylidene)-3H-1,3-thiazole-5-carboxylate
    2.1.2 InChI
    InChI=1S/C13H13NO3S/c1-3-17-13(16)11-8(2)14-12(18-11)9-4-6-10(15)7-5-9/h4-7,14H,3H2,1-2H3
    2.1.3 InChI Key
    VBAMDWNNTNVLAV-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCOC(=O)C1=C(NC(=C2C=CC(=O)C=C2)S1)C
    2.1.5 Isomeric SMILES
    CCOC(=O)C1=C(NC(=C2C=CC(=O)C=C2)S1)C
    2.2 Create Date
    2006-07-29
    3 Chemical and Physical Properties
    Molecular Weight 263.31 g/mol
    Molecular Formula C13H13NO3S
    XLogP32.1
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count3
    Exact Mass263.06161445 g/mol
    Monoisotopic Mass263.06161445 g/mol
    Topological Polar Surface Area80.7 A^2
    Heavy Atom Count18
    Formal Charge0
    Complexity508
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

    BUILDING BLOCK

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