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    BUILDING BLOCK

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    Chemistry

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    Also known as: 501921-30-8, (3as,6ar)-4-methoxy-3a,4,6,6a-tetrahydro-3h-furo[2,3-c]furan-2-one, (3as,6ar)-tetrahydro-4-methoxyfuro[3,4-b]furan-2(3h)-one, Tetrahydro-4-methoxyfuro[3,4-b]furan-2(3h)-one, Schembl3955376, Dtxsid00679952
    Molecular Formula
    C7H10O4
    Molecular Weight
    158.15  g/mol
    InChI Key
    LQEIOPTZKCKTPQ-CNGBTNQNSA-N
    CAS 501921-30-8
    1 2D Structure

    CAS 501921-30-8

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (3aS,6aR)-4-methoxy-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one
    2.1.2 InChI
    InChI=1S/C7H10O4/c1-9-7-4-2-6(8)11-5(4)3-10-7/h4-5,7H,2-3H2,1H3/t4-,5-,7?/m0/s1
    2.1.3 InChI Key
    LQEIOPTZKCKTPQ-CNGBTNQNSA-N
    2.1.4 Canonical SMILES
    COC1C2CC(=O)OC2CO1
    2.1.5 Isomeric SMILES
    COC1[C@H]2CC(=O)O[C@H]2CO1
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 501921-30-8

    2. (3as,6ar)-4-methoxy-3a,4,6,6a-tetrahydro-3h-furo[2,3-c]furan-2-one

    3. (3as,6ar)-tetrahydro-4-methoxyfuro[3,4-b]furan-2(3h)-one

    4. Tetrahydro-4-methoxyfuro[3,4-b]furan-2(3h)-one

    5. Schembl3955376

    6. Dtxsid00679952

    7. Amy40424

    8. Akos006303361

    9. Ac-27050

    10. C15871

    2.3 Create Date
    2011-05-17
    3 Chemical and Physical Properties
    Molecular Weight 158.15 g/mol
    Molecular Formula C7H10O4
    XLogP3-0.2
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count1
    Exact Mass158.05790880 g/mol
    Monoisotopic Mass158.05790880 g/mol
    Topological Polar Surface Area44.8 Ų
    Heavy Atom Count11
    Formal Charge0
    Complexity179
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

    BUILDING BLOCK

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