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    CAS 52187-19-6

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    CAS 52187-19-6
    Also known as: Zinc5762611, (3as)-3aalpha,4,9,9aalpha-tetrahydro-2,2-dimethylnaphtho[2,3-d]-1,3-dioxol-5-ol
    Molecular Formula
    C13H16O3
    Molecular Weight
    220.26  g/mol
    InChI Key
    VHQZRMCDYDICCK-NEPJUHHUSA-N
    1 2D Structure

    CAS 52187-19-6

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (3aS,9aR)-2,2-dimethyl-3a,4,9,9a-tetrahydrobenzo[f][1,3]benzodioxol-5-ol
    2.1.2 InChI
    InChI=1S/C13H16O3/c1-13(2)15-11-6-8-4-3-5-10(14)9(8)7-12(11)16-13/h3-5,11-12,14H,6-7H2,1-2H3/t11-,12+/m1/s1
    2.1.3 InChI Key
    VHQZRMCDYDICCK-NEPJUHHUSA-N
    2.1.4 Canonical SMILES
    CC1(OC2CC3=C(CC2O1)C(=CC=C3)O)C
    2.1.5 Isomeric SMILES
    CC1(O[C@@H]2CC3=C(C[C@@H]2O1)C(=CC=C3)O)C
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. Zinc5762611

    2. (3as)-3aalpha,4,9,9aalpha-tetrahydro-2,2-dimethylnaphtho[2,3-d]-1,3-dioxol-5-ol

    2.3 Create Date
    2007-02-07
    3 Chemical and Physical Properties
    Molecular Weight 220.26 g/mol
    Molecular Formula C13H16O3
    XLogP32.2
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count0
    Exact Mass220.109944368 g/mol
    Monoisotopic Mass220.109944368 g/mol
    Topological Polar Surface Area38.7 Ų
    Heavy Atom Count16
    Formal Charge0
    Complexity276
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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    Aurore Life Sciences

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    2,2-Dimethyl-3A,4,9,9A Tetrahydro-Naptho [2,3-D][1,3]Di...

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    Aurore Life Sciences is a pure-play API manufacturer with a diverse portfolio of capabilities in deliveri...
    Aurore Life Sciences is a pure-play API manufacturer with a diverse portfolio of capabilities in delivering efficiencies to generic players globally. Founded in 2017 by a team with vast experience across the pharmaceutical value chain, the company is on a mission to become the most preferred partner for pharmaceuticals. At Aurore, we aim to push the boundaries to manufacture and deliver high quality products that can be relied upon by both customers and regulators. Our thrust on rapidly adding capabilities have led us to acquire, integrate and expand our reach across the geographies.
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        Huvepharma® Italia is a fast-growing global pharmaceutical company duly organized for developing, manufacturing and marketing advanced intermediates and active pharmaceutical ingredients by chemical synthesis for both human and animal health. The focus is specifically on offering services for developing and industrializing new molecules for start-up companies, always operating in a certified GMP environment. Huvepharma® Italia is also particularly active with proven expertise in the fight against malaria disease. Huvepharma® Italia is a privately-owned company, headquartered in Garessio (CN) – Italy, employing about 150 people.
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          Huvepharma® Italia is a fast-growing global pharmaceutical company duly organized for developing, manufacturing and marketing advanced intermediates and active pharmaceutical ingredients by chemical synthesis for both human and animal health. The focus is specifically on offering services for developing and industrializing new molecules for start-up companies, always operating in a certified GMP environment. Huvepharma® Italia is also particularly active with proven expertise in the fight against malaria disease. Huvepharma® Italia is a privately-owned company, headquartered in Garessio (CN) – Italy, employing about 150 people.
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              Huvepharma® Italia is a fast-growing global pharmaceutical company duly organized for developing, manufacturing and marketing advanced intermediates and active pharmaceutical ingredients by chemical synthesis for both human and animal health. The focus is specifically on offering services for developing and industrializing new molecules for start-up companies, always operating in a certified GMP environment. Huvepharma® Italia is also particularly active with proven expertise in the fight against malaria disease. Huvepharma® Italia is a privately-owned company, headquartered in Garessio (CN) – Italy, employing about 150 people.
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