AG01BDR9

Name: 3-methyl-2-(3-methylphenyl)butanenitrile
Brand: Angene Chemical
SKU: AG01BDR9

120352-95-6 | 3-methyl-2-(3-methylphenyl)butanenitrile

AG01BDR9

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CAS Number	120352-95-6
Catalog Number	AG01BDR9
Chemical Name	3-methyl-2-(3-methylphenyl)butanenitrile
IUPAC Name	3-methyl-2-(3-methylphenyl)butanenitrile
InChI	InChI=1S/C12H15N/c1-9(2)12(8-13)11-6-4-5-10(3)7-11/h4-7,9,12H,1-3H3
InChI Key	YKIGTOSSJPAVKK-UHFFFAOYSA-N
MDL Number	MFCD16301516
Molecular Formula	C12H15N
Molecular Weight	173.2542
SMILES	CC(C(C1=CC(C)=CC=C1)C#N)C
Synonyms	3-methyl-2-(3-methylphenyl)butanenitrile, 120352-95-6, AKOS014320720, NE20901,

Complexity	198
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	173.12g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	173.259g/mol
Monoisotopic Mass	173.12g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	23.8A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	2.7

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