AG007DXJ

Name: 3-Oxo-3-(o-tolyl)propanenitrile
Brand: Angene Chemical
SKU: AG007DXJ

35276-81-4 | 3-Oxo-3-(o-tolyl)propanenitrile

AG007DXJ

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CAS Number	35276-81-4
Catalog Number	AG007DXJ(AGN-PC-0KBPSP)
Chemical Name	3-Oxo-3-(o-tolyl)propanenitrile
IUPAC Name	3-(2-methylphenyl)-3-oxopropanenitrile
InChI	InChI=1S/C10H9NO/c1-8-4-2-3-5-9(8)10(12)6-7-11/h2-5H,6H2,1H3
InChI Key	DMTQMHCHBQZTOJ-UHFFFAOYSA-N
MDL Number	MFCD02260802
Molecular Formula	C10H9NO
Molecular Weight	159.1846
SMILES	N#CCC(C1=CC=CC=C1C)=O
Synonyms	35276-81-4, 2-METHYLBENZOYLACETONITRILE, 3-Oxo-3-(o-tolyl)propanenitrile, 3-(2-methylphenyl)-3-oxopropanenitrile, 3-oxo-3-o-tolylpropanenitrile, PubChem12074, AC1Q2ELU, AC1Q2ELV, AC1M15LO, 2-Methyl-Benzoylacetonitrile, SCHEMBL741169, CTK4H4162, DTXSID50366401, HMS1718L12, ZINC2579799, 4381AB, MFCD02260802, Benzenepropanenitrile,2-methyl-b-oxo-, beta-Oxo-2-methylbenzenepropanenitrile, AKOS000206400, MCULE-7805594172, AJ-42863, SC-62623, FT-0604220, EN300-07908, Z-5036, Z56963413, C10H9NO, 3- -3-OXOPROPANENITRILE, ZINC02579799, CID2064033,

Complexity	213
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	159.068g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	159.188g/mol
Monoisotopic Mass	159.068g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	40.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

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