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    CAS 35134-07-7

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 35134-07-7, Dtxsid60343223, Dtxcid20294303, 816-222-3, 3-methoxythiophene-2-carboxaldehyde, 3-methoxy-2-thiophenecarboxaldehyde
    Molecular Formula
    C6H6O2S
    Molecular Weight
    142.18  g/mol
    InChI Key
    KGJDTMQUUPIAEF-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-methoxythiophene-2-carbaldehyde
    2.1.2 InChI
    InChI=1S/C6H6O2S/c1-8-5-2-3-9-6(5)4-7/h2-4H,1H3
    2.1.3 InChI Key
    KGJDTMQUUPIAEF-UHFFFAOYSA-N
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 35134-07-7

    2. Dtxsid60343223

    3. Dtxcid20294303

    4. 816-222-3

    5. 3-methoxythiophene-2-carboxaldehyde

    6. 3-methoxy-2-thiophenecarboxaldehyde

    7. Mfcd01571098

    8. 2-thiophenecarboxaldehyde, 3-methoxy-

    9. Ai-942/42301781

    10. 3-methoxy-2-thiophenealdehyde

    11. Schembl3245092

    12. Schembl3421374

    13. 3-methoxy-2-thiophenecarbaldehyde

    14. 3-methoxy-thiophene-2-carbaldehyde

    15. Bcp24382

    16. Kba13407

    17. 3-methoxy-2-thiophenecarbaldehyde #

    18. Geo-01731

    19. Sbb086238

    20. Akos000280513

    21. Ps-3298

    22. Sb17763

    23. Thiophene-2-carboxaldehyde, 3-methoxy-

    24. Sy026354

    25. Db-069145

    26. Cs-0034119

    27. En300-110080

    28. Z1201621119

    2.3 Create Date
    2005-03-27
    3 Chemical and Physical Properties
    Molecular Weight 142.18 g/mol
    Molecular Formula C6H6O2S
    XLogP31.4
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count2
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area54.5
    Heavy Atom Count9
    Formal Charge0
    Complexity105
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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