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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

CAS 867-13-0
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

BUILDING BLOCK

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