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Also known as: 65193-87-5, 2-cyanoethyl 3-oxobutyrate, 2-cyanoethyl acetoacetate, 3-bromopropionaldehydedimethylacetal, Mfcd24687999, Cyanoethyl acetoacetate
Molecular Formula
C7H9NO3
Molecular Weight
155.15  g/mol
InChI Key
SWJVFAOGXDGTCX-UHFFFAOYSA-N
FDA UNII
9HMM9GC4TW

CAS 65193-87-5
1 2D Structure

CAS 65193-87-5

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-cyanoethyl 3-oxobutanoate
2.1.2 InChI
InChI=1S/C7H9NO3/c1-6(9)5-7(10)11-4-2-3-8/h2,4-5H2,1H3
2.1.3 InChI Key
SWJVFAOGXDGTCX-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC(=O)CC(=O)OCCC#N
2.2 Other Identifiers
2.2.1 UNII
9HMM9GC4TW
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 65193-87-5

2. 2-cyanoethyl 3-oxobutyrate

3. 2-cyanoethyl Acetoacetate

4. 3-bromopropionaldehydedimethylacetal

5. Mfcd24687999

6. Cyanoethyl Acetoacetate

7. Butanoic Acid, 3-oxo-, 2-cyanoethyl Ester

8. 2-cyanoethyl3-oxobutyrate

9. 9hmm9gc4tw

10. 2-cyanoethy 3-oxobutanoate

11. Beta-cyanoethyl Acetoacetate

12. (2-cyanoethyl) Acetoacetate

13. (2-cyanoethyl) 3-oxobutanoate

14. Schembl2566244

15. Swjvfaogxdgtcx-uhfffaoysa-n

16. Ac1591

17. Akos024462966

18. Cs-12346

19. Sy047108

20. Db-104546

21. Cs-0088550

22. En300-342542

23. A867712

2.4 Create Date
2007-02-07
3 Chemical and Physical Properties
Molecular Weight 155.15 g/mol
Molecular Formula C7H9NO3
XLogP3-0.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area67.2
Heavy Atom Count11
Formal Charge0
Complexity201
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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Virtual BoothChina's leading API and intermediate manufacturer, offering CMO/CDMO services and exports to 70+ countries, enhancing global health.

2-cyanoethylacetoacetate

CAS Number : 65193-87-5

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About the Company : Shandong Chenghui Shuangda Pharmaceutical Co., Ltd. specializes in R&D and production of APIs and advanced intermediates, CDMO/CRO/OEM, and Technology Transfer of Finished Formulations....

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2-CYANOETHYL-3-OXOBUTANOATE

CAS Number : 65193-87-5

End Use API :

About the Company : Founded with a mission to transform strategic capital into specialty chemicals, Ami Group focuses on Agrochemicals, Cosmetics, and Polymers. Ami Organics Ltd. is committed to meeting yo...

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Shandong Chenghui Shuangd...

China's leading API and intermediate manufacturer, offering CMO/CDMO services and exports to 70+ countries, enhancing global health.

Ami Lifesciences Private ...

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Lewens Labs

Lewens Labs transforms healthcare with innovative, sustainable, and affordable pharmaceutical solutions worldwide.

LGM Pharma

LGM Pharma accelerates & optimizes the new product pathway from early development through commercialization.

Metrochem API Private Lim...

Metrochem has been delivering customized volume & quality products to customers across the world, taking utmost care of their needs.

Jinan Tantu Chemicals

Jinan Tantu Chemicals offers customized R&D services & production of small molecule APIs & pharmaceutical intermediates.

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