CAS 6279-86-3

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Also known as: 6279-86-3, Triethylmethanetricarboxylate, Tricarbethoxymethane, Methanetricarboxylic acid, triethyl ester, 2-ethoxycarbonyl-malonic acid diethyl ester, Methanetricarboxylic acid triethyl ester

Molecular Formula

C₁₀H₁₆O₆

Molecular Weight

232.23 g/mol

InChI Key

AGZPNUZBDCYTBB-UHFFFAOYSA-N

1 2D Structure

CAS 6279-86-3

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

triethyl methanetricarboxylate

2.1.2 InChI

InChI=1S/C10H16O6/c1-4-14-8(11)7(9(12)15-5-2)10(13)16-6-3/h7H,4-6H2,1-3H3

2.1.3 InChI Key

AGZPNUZBDCYTBB-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCOC(=O)C(C(=O)OCC)C(=O)OCC

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 6279-86-3

2. Triethylmethanetricarboxylate

3. Tricarbethoxymethane

4. Methanetricarboxylic Acid, Triethyl Ester

5. 2-ethoxycarbonyl-malonic Acid Diethyl Ester

6. Methanetricarboxylic Acid Triethyl Ester

7. Mfcd00009150

8. Diethyl 2-(ethoxycarbonyl)malonate

9. Carboxymalonic Acid Triethyl Ester

10. Einecs 228-477-2

11. Triethoxycarbonylmethane

12. Triethyl Carboxymalonate

13. Ai3-18421

14. Hc(cooet)3

15. Tri(ethoxycarbonyl)methane

16. Triethyl Methantricarboxylate

17. Triethylmethane Tricarboxylate

18. Schembl425250

19. Dtxsid50211866

20. Act05066

21. Amy25162

22. Nsc11006

23. Zinc1712644

24. Triethyl Methanetricarboxylate, 98%

25. Nsc 11006

26. Nsc-11006

27. Stk315800

28. 1,1,1-triethyl Methanetricarboxylate

29. Akos003795001

30. Cs-w002047

31. As-17766

32. Sy018026

33. Db-007929

34. A8676

35. Bb 0243391

36. Ft-0630107

37. T1481

38. En300-59405

39. W-104958

40. F8880-0560

41. Z275166568

42. 2-ethyl-2-methylbutane-1,1,1-tricarboxylate;triethyl Methanetricarboxylate

2.3 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₁₆O₆
Molecular Weight	232.23 g/mol
XLogP3	1.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	9
Exact Mass	232.09468823 g/mol
Monoisotopic Mass	232.09468823 g/mol
Topological Polar Surface Area	78.9 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	217
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1