AG00057J

Name: 3-(4-methyl-3-nitrophenyl)-3-oxopropanenitrile
Brand: Angene Chemical
SKU: AG00057J

1016843-83-6 | 3-(4-methyl-3-nitrophenyl)-3-oxopropanenitrile

AG00057J

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CAS Number	1016843-83-6
Catalog Number	AG00057J(AGN-PC-04PMBU)
Chemical Name	3-(4-methyl-3-nitrophenyl)-3-oxopropanenitrile
IUPAC Name	3-(4-methyl-3-nitrophenyl)-3-oxopropanenitrile
InChI	InChI=1S/C10H8N2O3/c1-7-2-3-8(10(13)4-5-11)6-9(7)12(14)15/h2-3,6H,4H2,1H3
InChI Key	JTCWLEYXMQKFQI-UHFFFAOYSA-N
MDL Number	MFCD09941734
Molecular Formula	C10H8N2O3
Molecular Weight	204.1821
SMILES	CC1=C([N+]([O-])=O)C=C(C(CC#N)=O)C=C1
Synonyms	3-(4-methyl-3-nitrophenyl)-3-oxopropanenitrile, 1016843-83-6, FCH031360, ZINC19486219, AKOS000182377, BBV-077583, EN300-252490, Benzenepropanenitrile, 4-methyl-3-nitro-beta-oxo-, Z2301438497,

Complexity	312
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	204.053g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	204.185g/mol
Monoisotopic Mass	204.053g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	86.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

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