AG00DE9W

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CAS Number	4468-47-7
Catalog Number	AG00DE9W(AGN-PC-09639L)
Chemical Name	2-Methyl-3-oxobutanenitrile
IUPAC Name	2-methyl-3-oxobutanenitrile
InChI	InChI=1S/C5H7NO/c1-4(3-6)5(2)7/h4H,1-2H3
InChI Key	AMQCWPDDXYOEER-UHFFFAOYSA-N
MDL Number	MFCD06797631
Molecular Formula	C5H7NO
Molecular Weight	97.1152
SMILES	CC(C#N)C(C)=O
Synonyms	2-Methyl-3-oxobutanenitrile, 4468-47-7, 3-CYANO-2-BUTANONE, 3-cyanobutan-2-one, 2-Methyl-3-keto-butyronitrile, AMQCWPDDXYOEER-UHFFFAOYSA-N, 2-CYANO-3-BUTANONE, 2-Methyl-3-oxobutyronitrile, AC1LBJKR, alpha-acetylpropionitrile, AC1Q1LEZ, 2-methyl-3-oxo-butyronitrile, 2-Methyl-3-oxobutanenitrile #, Butanenitrile,2-methyl-3-oxo-, CHEBI:87599, CTK4I8397, DTXSID40336870, 6171AB, MFCD06797631, AKOS009354701, AB0073544, EN300-44988, X-3548, C5H7NO, Butanenitrile, 2-methyl-3-oxo-, CID536905,

Complexity	119
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	97.053g/mol
Formal Charge	0
Heavy Atom Count	7
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	97.117g/mol
Monoisotopic Mass	97.053g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	40.9A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	0.4

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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