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    CAS 113020-21-6

    BUILDING BLOCK

    PharmaCompass
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    2D Structure
    Also known as: 113020-21-6, 1,1-cyclopropanedicarboxylic acid monomethyl ester, 1-(methoxycarbonyl)cyclopropane-1-carboxylic acid, Cyclopropane-1,1-dicarboxylic acid, methyl ester, 1-methoxycarbonylcyclopropane-1-carboxylic acid, Cyclopropane-1,1-dicarboxylic acid methyl ester
    Molecular Formula
    C6H8O4
    Molecular Weight
    144.12  g/mol
    InChI Key
    IZYOHLOUZVEIOS-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-methoxycarbonylcyclopropane-1-carboxylic acid
    2.1.2 InChI
    InChI=1S/C6H8O4/c1-10-5(9)6(2-3-6)4(7)8/h2-3H2,1H3,(H,7,8)
    2.1.3 InChI Key
    IZYOHLOUZVEIOS-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    COC(=O)C1(CC1)C(=O)O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 113020-21-6

    2. 1,1-cyclopropanedicarboxylic Acid Monomethyl Ester

    3. 1-(methoxycarbonyl)cyclopropane-1-carboxylic Acid

    4. Cyclopropane-1,1-dicarboxylic Acid, Methyl Ester

    5. 1-methoxycarbonylcyclopropane-1-carboxylic Acid

    6. Cyclopropane-1,1-dicarboxylic Acid Methyl Ester

    7. Mfcd06800496

    8. 1-methoxycarbonylcyclopropanecarboxylic Acid

    9. Cyclopropane-1,1-dicarboxylic Acid Monomethyl Ester

    10. Cyclopropane-1,1-dicarboxylic Acid Mono Methyl Ester

    11. 1-(methoxycarbonyl)cyclopropanecarboxylicacid

    12. Schembl71320

    13. Amy3787

    14. Dtxsid90551394

    15. Izyohlouzveios-uhfffaoysa-n

    16. Cs-m3308

    17. Akos005255350

    18. Pb39625

    19. Ac-29774

    20. As-19766

    21. Sy002110

    22. 1-methoxycarbonylcyclopropane Carboxylic Acid

    23. Ft-0677436

    24. 1-(methoxycarbonyl)cyclopropane Carboxylic Acid

    25. En300-138787

    26. F11580

    27. 1,1-cyclopropane Dicarboxylic Acid-1-methyl Ester

    28. 1-[(methyloxy)carbonyl]cyclopropanecarboxylic Acid

    29. Cyclopropane-1,1-dicarboxylic Acid Monomethylester

    30. J-520186

    31. Z1201623872

    32. 1-(methoxycarbonyl)cyclopropanecarboxylic Acid, Aldrichcpr

    2.3 Create Date
    2007-02-08
    3 Chemical and Physical Properties
    Molecular Weight 144.12 g/mol
    Molecular Formula C6H8O4
    XLogP30.2
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count3
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area63.6
    Heavy Atom Count10
    Formal Charge0
    Complexity180
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1