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    CAS 501921-30-8

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    CAS 501921-30-8
    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
    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
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