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    CAS 762-42-5

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    CAS 762-42-5
    Also known as: 762-42-5, Dimethyl but-2-ynedioate, 2-butynedioic acid, dimethyl ester, Dimethyl 2-butynedioate, Dimethyl butynedioate, 1,4-dimethyl but-2-ynedioate
    Molecular Formula
    C6H6O4
    Molecular Weight
    142.11  g/mol
    InChI Key
    VHILMKFSCRWWIJ-UHFFFAOYSA-N
    FDA UNII
    7HZA2PL15F
    1 2D Structure

    CAS 762-42-5

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    dimethyl but-2-ynedioate
    2.1.2 InChI
    InChI=1S/C6H6O4/c1-9-5(7)3-4-6(8)10-2/h1-2H3
    2.1.3 InChI Key
    VHILMKFSCRWWIJ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    COC(=O)C#CC(=O)OC
    2.2 Other Identifiers
    2.2.1 UNII
    7HZA2PL15F
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Acetylenedicarboxylic Acid Dimethyl Ester

    2. Diethyl Acetylenedicarboxylate

    3. Diethylacetylenedicarboxylate

    2.3.2 Depositor-Supplied Synonyms

    1. 762-42-5

    2. Dimethyl But-2-ynedioate

    3. 2-butynedioic Acid, Dimethyl Ester

    4. Dimethyl 2-butynedioate

    5. Dimethyl Butynedioate

    6. 1,4-dimethyl But-2-ynedioate

    7. Bis(methoxycarbonyl)acetylene

    8. Acetylenedicarboxylic Acid Dimethyl Ester

    9. Di(carbomethoxy)acetylene

    10. Dimethyl Ethynedicarboxylate

    11. 1,2-bis(methoxycarbonyl)acetylene

    12. Methyl Acetylenedicarboxylate

    13. Acetylenedicarboxylic Acid, Dimethyl Ester

    14. But-2-ynedioic Acid Dimethyl Ester

    15. Dmad

    16. 1,2-bis(methoxycarbonyl)ethyne

    17. Dimethylacetylenedicarboxylate

    18. Dimethylacetylene Dicarboxylate

    19. Butynedioic Acid Dimethyl Ester

    20. Mfcd00008456

    21. 7hza2pl15f

    22. Dimethyl Acetylene Dicarboxylate

    23. Nsc-14912

    24. Nsc-101119

    25. 2-butynedioic Acid, 1,4-dimethyl Ester

    26. Dimethyl Acetylenedicarboxylic Acid

    27. Einecs 212-098-4

    28. Nsc 14912

    29. Unii-7hza2pl15f

    30. Brn 0607063

    31. Dimethyl But-2-yne-1,4-dioate

    32. Dicarbomethoxyacetylene

    33. Dimethyl-2-butynedioate

    34. Dimethylbut-2-ynedioate

    35. Bis(carbomethoxy)acetylene

    36. Dimethylacetylendicarboxylate

    37. Dimethyl Ethyne Dicarboxylate

    38. Dimethyl Butyne-1,4-dioate

    39. Wln: 1ov1uu1vo1

    40. Dimethyl Acetylendicarboxylate

    41. Schembl25706

    42. 4-02-00-02291 (beilstein Handbook Reference)

    43. Dimethyl-acetylenedicarboxylate

    44. Dimethylacetylene-dicarboxylate

    45. Dimethyl Acetylene-dicarboxylate

    46. Dimethyl Acetylenedicarboxy-late

    47. Dimethyl-acetylene Dicarboxylate

    48. Chembl3248452

    49. Dtxsid0061088

    50. 2-butynedioic Acid Dimethyl Ester

    51. Acetylenedicarboxylic Acid Dimethyl

    52. Act08933

    53. Cs-d0471

    54. Dimethyl 1,2-acetylenedicarboxylate

    55. Nsc14912

    56. Str01625

    57. Zinc1653258

    58. Bbl036264

    59. Dimethyl Acetylenedicarboxylate, 99%

    60. Nsc101119

    61. Stl185544

    62. Akos009028881

    63. Am87182

    64. Ncgc00165984-01

    65. Acetylene Dicarboxylic Acid Dimethyl Ester

    66. Acetylene-dicarboxylic Acid Dimethyl Ester

    67. Acetylene Dicarboxylic Acid, Dimethyl Ester

    68. Db-056040

    69. A0090

    70. Ft-0625034

    71. En300-19219

    72. F30113

    73. A838653

    74. Q904788

    75. W-104370

    76. 1,2,3,4,6-penta-o-acetyl-5-thio-a-d-glucopyranose

    77. Dimethyl But-2-ynedioate;dimethyl Acetylenedicarboxylate

    78. F0001-1934

    79. Z1258578247

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 142.11 g/mol
    Molecular Formula C6H6O4
    XLogP30.8
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count2
    Exact Mass142.02660867 g/mol
    Monoisotopic Mass142.02660867 g/mol
    Topological Polar Surface Area52.6 Ų
    Heavy Atom Count10
    Formal Charge0
    Complexity184
    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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