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    CAS 150726-89-9 manufacturers and suppliers on PharmaCompass

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    4CH-014642

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    4CH-014642
    Also known as: 150726-89-9, Dimethyl 2-methoxyphenoxymalonate, Dimethyl 2-(2-methoxyphenoxy)propanedioate, Mfcd06797652, Propanedioic acid, (2-methoxyphenoxy)-, dimethyl ester, (2-methoxyphenoxy)-propanedioic acid dimethyl ester
    Molecular Formula
    C12H14O6
    Molecular Weight
    254.24  g/mol
    InChI Key
    SBUXKADXTZOBJV-UHFFFAOYSA-N
    1 2D Structure

    4CH-014642

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    dimethyl 2-(2-methoxyphenoxy)propanedioate
    2.1.2 InChI
    InChI=1S/C12H14O6/c1-15-8-6-4-5-7-9(8)18-10(11(13)16-2)12(14)17-3/h4-7,10H,1-3H3
    2.1.3 InChI Key
    SBUXKADXTZOBJV-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    COC1=CC=CC=C1OC(C(=O)OC)C(=O)OC
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 150726-89-9

    2. Dimethyl 2-methoxyphenoxymalonate

    3. Dimethyl 2-(2-methoxyphenoxy)propanedioate

    4. Mfcd06797652

    5. Propanedioic Acid, (2-methoxyphenoxy)-, Dimethyl Ester

    6. (2-methoxyphenoxy)-propanedioic Acid Dimethyl Ester

    7. Schembl628822

    8. Dtxsid80514170

    9. Dimethyl (o-methoxyphenoxy)malonate

    10. Dimethyl-(o-methoxyphenoxy)malonate

    11. Act08727

    12. Bcp19459

    13. Cs-d1420

    14. Dimethyl (2-methoxyphenoxy)malonate

    15. Dimethyl-(2-methoxyphenoxy)malonate

    16. Propanedioic Acid, 2-(2-methoxyphenoxy)-, 1,3-dimethyl Ester

    17. Zinc22058103

    18. Dimethyl-2-(o-methoxyphenoxy)malonate

    19. Akos015851940

    20. Dimethyl (2-methoxyphenoxy)propanedioate

    21. Ac-26985

    22. Ds-14101

    23. Sy021326

    24. Db-063866

    25. Ft-0659625

    26. 726m899

    27. J-520348

    2.3 Create Date
    2007-02-08
    3 Chemical and Physical Properties
    Molecular Weight 254.24 g/mol
    Molecular Formula C12H14O6
    XLogP31.9
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count7
    Exact Mass254.07903816 g/mol
    Monoisotopic Mass254.07903816 g/mol
    Topological Polar Surface Area71.1 Ų
    Heavy Atom Count18
    Formal Charge0
    Complexity274
    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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