AG01B9YF

Name: 2-Methyl-4-oxo-4-phenylbutanenitrile
Brand: Angene Chemical
SKU: AG01B9YF

51765-78-7 | 2-Methyl-4-oxo-4-phenylbutanenitrile

AG01B9YF

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CAS Number	51765-78-7
Catalog Number	AG01B9YF(AGN-PC-0SB5OH)
Chemical Name	2-Methyl-4-oxo-4-phenylbutanenitrile
IUPAC Name	2-methyl-4-oxo-4-phenylbutanenitrile
InChI	InChI=1S/C11H11NO/c1-9(8-12)7-11(13)10-5-3-2-4-6-10/h2-6,9H,7H2,1H3
InChI Key	WVAUYTNUCMNFOI-UHFFFAOYSA-N
MDL Number	MFCD16068037
Molecular Formula	C11H11NO
Molecular Weight	173.2111
SMILES	CC(C#N)CC(C1=CC=CC=C1)=O
Synonyms	2-methyl-4-oxo-4-phenylbutanenitrile, 51765-78-7, 1-Phenyl-3-cyano-1-butanone, SCHEMBL11454419, AKOS010909289, Z2065464289, 2-methyl-4-oxo-4-phenyl-butanenitrile, CID11298236,

Complexity	220
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	173.084g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	173.215g/mol
Monoisotopic Mass	173.084g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	40.9A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1.8

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