CAS 2960-66-9

Chemistry, 1 End Use API, 5 Related Intermediates

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Also known as: 2960-66-9, (e)-ethyl 4-oxobut-2-enoate, Ethyl (e)-4-oxobut-2-enoate, Ethyl 4-oxobut-2-enoate, 2-butenoic acid, 4-oxo-, ethyl ester, (2e)-, (e)-4-oxo-but-2-enoic acid ethyl ester

Molecular Formula

C₆H₈O₃

Molecular Weight

128.13 g/mol

InChI Key

SDGAEBKMHIPSAC-ONEGZZNKSA-N

1 2D Structure

CAS 2960-66-9

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

ethyl (E)-4-oxobut-2-enoate

2.1.2 InChI

InChI=1S/C6H8O3/c1-2-9-6(8)4-3-5-7/h3-5H,2H2,1H3/b4-3+

2.1.3 InChI Key

SDGAEBKMHIPSAC-ONEGZZNKSA-N

2.1.4 Canonical SMILES

CCOC(=O)C=CC=O

2.1.5 Isomeric SMILES

CCOC(=O)/C=C/C=O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 2960-66-9

2. (e)-ethyl 4-oxobut-2-enoate

3. Ethyl (e)-4-oxobut-2-enoate

4. Ethyl 4-oxobut-2-enoate

5. 2-butenoic Acid, 4-oxo-, Ethyl Ester, (2e)-

6. (e)-4-oxo-but-2-enoic Acid Ethyl Ester

7. Mfcd00236170

8. Ethyl Trans-4-oxo-2-butenoate, 96%

9. Ethyl 3-formylacrylate

10. Ethyl-(e)-4-oxobutenoate

11. (e)-ethyl 3-formylacrylate

12. (e)-ethyl4-oxobut-2-enoate

13. Ethyl (e)-4-oxo-2-butenoate

14. Ethyl-4-oxo-trans-2-butenoate

15. Fumaraldehydic Acid Ethyl Ester

16. Schembl1138071

17. Schembl1138075

18. Ethyl (2e)-4-oxo-2-butenoate

19. Ethyl (2e)-4-oxobut-2-enoate

20. Dtxsid501309387

21. Amy39019

22. Bcp16342

23. Zinc2560108

24. 4-oxo-2-butenoic Acid Ethyl Ester

25. Akos015950671

26. Cs-w020184

27. (e)-4-oxo-2-butenoic Acid Ethyl Ester

28. As-33222

29. Ls-13139

30. (2e)-4-oxo-2-butenoic Acid Ethyl Ester

31. A854714

32. J-017579

33. F0001-0915

2.3 Create Date

2006-07-29

3 Chemical and Physical Properties

Molecular Formula	C₆H₈O₃
Molecular Weight	128.13 g/mol
XLogP3	0.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	128.047344113 g/mol
Monoisotopic Mass	128.047344113 g/mol
Topological Polar Surface Area	43.4 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	126
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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Ethyl trans -4-oxo-2-butenoate

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CAS Number

2960-66-9

End Use API

Dalian Richon Chem. Co., Ltd is a high-tech enterprise professionally involved in research and developmen...

Dalian Richon Chem. Co., Ltd is a high-tech enterprise professionally involved in research and development, manufacturing process and sales service of pharmaceutical intermediates and APIs. It has passed ISO9001:2000 international quality management system certificate. Its business scope includes development and manufacturing of APIs and pharmaceutical intermediates, contract development and manufacturing for domestic and international pharmaceutical companies, technical consultation, service and transfer.

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