AG00GULP

Name: 3-(2,3-Dimethylphenyl)-3-oxopropanenitrile
Brand: Angene Chemical
SKU: AG00GULP

898787-06-9 | 3-(2,3-Dimethylphenyl)-3-oxopropanenitrile

AG00GULP

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CAS Number	898787-06-9
Catalog Number	AG00GULP(AGN-PC-0VPPCJ)
Chemical Name	3-(2,3-Dimethylphenyl)-3-oxopropanenitrile
IUPAC Name	3-(2,3-dimethylphenyl)-3-oxopropanenitrile
InChI	InChI=1S/C11H11NO/c1-8-4-3-5-10(9(8)2)11(13)6-7-12/h3-5H,6H2,1-2H3
InChI Key	AQALXBVPNRKQCI-UHFFFAOYSA-N
MDL Number	MFCD02260822
Molecular Formula	C11H11NO
Molecular Weight	173.2111
SMILES	CC1=C(C)C(C(CC#N)=O)=CC=C1
Synonyms	2,3-DIMETHYLBENZOYLACETONITRILE, 898787-06-9, 3-(2,3-dimethylphenyl)-3-oxopropanenitrile, Benzenepropanenitrile,2,3-dimethyl-b-oxo-, PubChem11990, AC1Q2DLF, CTK5G6419, DTXSID40640828, ZINC2579818, MFCD02260822, AKOS000180458, MCULE-5730600012, NE26736, SC-62800, FT-0604184, EN300-67065, Z1250100669, A10754,

Complexity	238
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	2
Topological Polar Surface Area	40.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

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