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    CAS 867-13-0
    Also known as: 867-13-0, Ethyl 2-(diethoxyphosphoryl)acetate, Ethyl (diethoxyphosphoryl)acetate, Ethyl 2-diethoxyphosphorylacetate, Ethyl (diethylphosphono)acetate, Triethyl phosphonoethanoate
    Molecular Formula
    C8H17O5P
    Molecular Weight
    224.19  g/mol
    InChI Key
    GGUBFICZYGKNTD-UHFFFAOYSA-N
    FDA UNII
    022826171T
    1 2D Structure

    CAS 867-13-0

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    ethyl 2-diethoxyphosphorylacetate
    2.1.2 InChI
    InChI=1S/C8H17O5P/c1-4-11-8(9)7-14(10,12-5-2)13-6-3/h4-7H2,1-3H3
    2.1.3 InChI Key
    GGUBFICZYGKNTD-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCOC(=O)CP(=O)(OCC)OCC
    2.2 Other Identifiers
    2.2.1 UNII
    022826171T
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Nsc-13898

    2. Nsc-16128

    2.3.2 Depositor-Supplied Synonyms

    1. 867-13-0

    2. Ethyl 2-(diethoxyphosphoryl)acetate

    3. Ethyl (diethoxyphosphoryl)acetate

    4. Ethyl 2-diethoxyphosphorylacetate

    5. Ethyl (diethylphosphono)acetate

    6. Triethyl Phosphonoethanoate

    7. Acetic Acid, (diethoxyphosphinyl)-, Ethyl Ester

    8. Diethyl Ethoxycarbonylmethanephosphonate

    9. Diethyl Carbethoxymethylphosphonate

    10. Diethyl Carboethoxymethylphosphonate

    11. Tl 465

    12. Ethyl Diethoxyphosphoryl Acetate

    13. Triethyl Phosphono Acetate

    14. Diethylphosphonoacetic Acid Ethyl Ester

    15. Ethyl (diethoxyphosphinyl)acetate

    16. Phosphonoacetic Acid, Triethyl Ester

    17. Triethylphosphonoacetate

    18. Acetic Acid, Phosphono-, Triethyl Ester

    19. Diethyl Phosphonoacetic Acid, Ethyl Ester

    20. Ethyl Diethylphosphonoacetate

    21. (ethoxycarbonylmethyl)diethoxyphospshine Oxide

    22. Nsc 13898

    23. Nsc 16128

    24. Acetic Acid, 2-(diethoxyphosphinyl)-, Ethyl Ester

    25. Acetic Acid, (diethylphosphono)-, Ethyl Ester

    26. Acetic Acid, Diethylphosphono-, Ethyl Ester

    27. O,o-diethyl Ethoxycarbonylmethyl Phosphonate

    28. Carbethoxymethyldiethyl Phosphonate

    29. Phosphonoacetic Acid Triethyl Ester

    30. Nsc-13898

    31. Nsc-16128

    32. Acetic Acid, Triethyl Ester

    33. 022826171t

    34. Wln: Opo&o&2&2&1vo2

    35. Einecs 212-757-6

    36. Mfcd00009177

    37. Ethyl(diethoxyphosphoryl)acetate

    38. Unii-022826171t

    39. Triethylophosphonoacetate

    40. Ethyldiethylphosphonoacetate

    41. Ethyl Diethylphosphonoactate

    42. Ec 212-757-6

    43. Dsstox_cid_21573

    44. Dsstox_rid_79778

    45. Dsstox_gsid_41573

    46. Schembl16047

    47. Cbdive_001998

    48. Ethyl Diethoxyphosphinylacetate

    49. Ethyl Diethoxyphosphorylacetate

    50. Ethyl(diethoxyphosphinyl)acetate

    51. Triethyl Phosphonoacetate, 98%

    52. Chembl3185304

    53. Dtxsid4041573

    54. Amy4126

    55. Ethyl2-(diethoxyphosphoryl)acetate

    56. Phosphonoacetic Acid-triethyl Ester

    57. Ethyl 2-(diethyl Phosphono)acetate

    58. Bcp24434

    59. Ethyl (diethoxy-phosphoryl)-acetate

    60. Ethyl (diethoxyphosphoryl)acetate #

    61. Ethyl-2-(diethoxyphosphoryl)acetate

    62. Nsc13898

    63. Nsc16128

    64. Str01192

    65. Zinc1592066

    66. Ethyl-2-(diethoxylphosphoryl)acetate

    67. Tox21_302053

    68. (diethoxyphosphinyl)acetic Acid Ethyl

    69. Ethyl 2-(diethoxyphosphoryl)ethanoate

    70. Stl477594

    71. Tl-465

    72. Diethyl Ethoxycarbonylmethylphosphonate

    73. Diethylethoxycarbonylmethyl-phosphonate

    74. Akos009156982

    75. Cs-w009140

    76. Diethoxyphosphorylactic Acid Ethyl Ester

    77. Ncgc00255680-01

    78. Cas-867-13-0

    79. Diethyl((ethoxycarbonyl)methyl)phosphonate

    80. (diethoxyphosphoryl)acetic Acid Ethyl Ester

    81. 2-diethoxyphosphorylacetic Acid Ethyl Ester

    82. Db-013131

    83. (diethoxyphosphoryl)-acetic Acid Ethyl Ester

    84. Bb 0263081

    85. D1523

    86. Ft-0600456

    87. Ft-0640734

    88. Ft-0641865

    89. Ft-0642441

    90. Ft-0687283

    91. (diethoxy-phosphoryl)-acetic Acid Ethyl Ester

    92. Acetamidomethylbenzenesulfonamide Hydrochloride

    93. Triethyl Phosphonoacetate, Purum, >=97.0% (gc)

    94. Ethanoic Acid, 2-(diethoxyphosphinyl)-, Ethyl Ester

    95. Q-201872

    96. Q7841458

    97. F0001-2154

    98. 1,3-benzendicarboxamide,n,n-bis(2,2,6,6-tetramethyl-4-piperidinyl)

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 224.19 g/mol
    Molecular Formula C8H17O5P
    XLogP30.5
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count8
    Exact Mass224.08136064 g/mol
    Monoisotopic Mass224.08136064 g/mol
    Topological Polar Surface Area61.8 Ų
    Heavy Atom Count14
    Formal Charge0
    Complexity206
    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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