AG01BEM6

Name: 2-Ethyl-3-oxobutanenitrile
Brand: Angene Chemical
SKU: AG01BEM6

1780-46-7 | 2-Ethyl-3-oxobutanenitrile

AG01BEM6

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CAS Number	1780-46-7
Catalog Number	AG01BEM6(AGN-PC-001EW5)
Chemical Name	2-Ethyl-3-oxobutanenitrile
IUPAC Name	2-ethyl-3-oxobutanenitrile
InChI	InChI=1S/C6H9NO/c1-3-6(4-7)5(2)8/h6H,3H2,1-2H3
InChI Key	BNOSMUJYKYEPSR-UHFFFAOYSA-N
MDL Number	MFCD12115813
Molecular Formula	C6H9NO
Molecular Weight	111.1418
SMILES	CCC(C(C)=O)C#N
Synonyms	2-ethyl-3-oxobutanenitrile, 1780-46-7, 3-cyanopentanone, 2-Acetylbutanenitrile, SCHEMBL3314323, AKOS009860091,

Complexity	131
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	111.068g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	111.144g/mol
Monoisotopic Mass	111.068g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	40.9A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	0.8

CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited