AG01BTWA

Name: 3-oxo-2-(pyridin-3-yl)butanenitrile
Brand: Angene Chemical
SKU: AG01BTWA

90417-12-2 | 3-oxo-2-(pyridin-3-yl)butanenitrile

AG01BTWA

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CAS Number	90417-12-2
Catalog Number	AG01BTWA
Chemical Name	3-oxo-2-(pyridin-3-yl)butanenitrile
IUPAC Name	3-oxo-2-pyridin-3-ylbutanenitrile
InChI	InChI=1S/C9H8N2O/c1-7(12)9(5-10)8-3-2-4-11-6-8/h2-4,6,9H,1H3
InChI Key	ZYLDVPZWZDHLBO-UHFFFAOYSA-N
MDL Number	MFCD23924346
Molecular Formula	C9H8N2O
Molecular Weight	160.1726
SMILES	CC(C(C1=CN=CC=C1)C#N)=O
Synonyms	3-oxo-2-(pyridin-3-yl)butanenitrile, 90417-12-2, SCHEMBL2319986, ZYLDVPZWZDHLBO-UHFFFAOYSA-N, 3-Oxo-2-pyridin-3-yl-butyronitrile, AKOS019088148, Z2760930285,

Complexity	216
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	160.064g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	160.176g/mol
Monoisotopic Mass	160.064g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	53.8A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	0.5

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