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    CAS 35697-16-6

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    CAS 35697-16-6
    Also known as: 35697-16-6, (6s,7r)-5,6,7,8-tetrahydronaphthalene-1,6,7-triol, Einecs 252-682-6, Tetralin-2beta,3beta,8-triol, Schembl10454755, Dtxsid70189210
    Molecular Formula
    C10H12O3
    Molecular Weight
    180.20  g/mol
    InChI Key
    AUKZSCHMOAPNEN-VHSXEESVSA-N
    1 2D Structure

    CAS 35697-16-6

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (6S,7R)-5,6,7,8-tetrahydronaphthalene-1,6,7-triol
    2.1.2 InChI
    InChI=1S/C10H12O3/c11-8-3-1-2-6-4-9(12)10(13)5-7(6)8/h1-3,9-13H,4-5H2/t9-,10+/m0/s1
    2.1.3 InChI Key
    AUKZSCHMOAPNEN-VHSXEESVSA-N
    2.1.4 Canonical SMILES
    C1C(C(CC2=C1C=CC=C2O)O)O
    2.1.5 Isomeric SMILES
    C1[C@@H]([C@@H](CC2=C1C=CC=C2O)O)O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 35697-16-6

    2. (6s,7r)-5,6,7,8-tetrahydronaphthalene-1,6,7-triol

    3. Einecs 252-682-6

    4. Tetralin-2beta,3beta,8-triol

    5. Schembl10454755

    6. Dtxsid70189210

    7. Zinc32201467

    8. 5,6,7,8-tetrahydro-1,6,7-naphthalenetriol #

    9. A822948

    10. 1,6,7-naphthalenetriol, 5,6,7,8-tetrahydro-, Cis-

    2.3 Create Date
    2007-02-08
    3 Chemical and Physical Properties
    Molecular Weight 180.20 g/mol
    Molecular Formula C10H12O3
    XLogP30.4
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count0
    Exact Mass180.078644241 g/mol
    Monoisotopic Mass180.078644241 g/mol
    Topological Polar Surface Area60.7 Ų
    Heavy Atom Count13
    Formal Charge0
    Complexity183
    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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    35697-16-6
    5,6,7,8-Tetrahydro-naphthalene-1,6,...
    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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