AG005D8R

Name: ethyl 2-(2,5-dimethylphenyl)-2-oxoacetate
Brand: Angene Chemical
SKU: AG005D8R

80120-31-6 | ethyl 2-(2,5-dimethylphenyl)-2-oxoacetate

AG005D8R

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COA

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CAS Number	80120-31-6
Catalog Number	AG005D8R(AGN-PC-0UGFLS)
Chemical Name	ethyl 2-(2,5-dimethylphenyl)-2-oxoacetate
IUPAC Name	ethyl 2-(2,5-dimethylphenyl)-2-oxoacetate
InChI	InChI=1S/C12H14O3/c1-4-15-12(14)11(13)10-7-8(2)5-6-9(10)3/h5-7H,4H2,1-3H3
InChI Key	SQJHKEYGAQOGPH-UHFFFAOYSA-N
MDL Number	MFCD08062430
Molecular Formula	C12H14O3
Molecular Weight	206.2378
SMILES	CC1=C(C=C(C=C1)C)C(C(=O)OCC)=O
Synonyms	ethyl 2,5-dimethylbenzoylformate, 80120-31-6, Ethyl-2,5-dimethylbenzoylformate, SCHEMBL8186866, CTK5E7474, DTXSID80531009, ZINC8700943, MFCD08062430, AKOS010879446, Ethyl (2,5-dimethylphenyl)(oxo)acetate, BBV-33270952, ethyl (2,5-dimethylphenyl)-2-oxoacetate, ethyl 2,5-dimethylbenzoylformate, AldrichCPR, J3.647.304E, (2,5-dimethylphenyl)oxoacetic acid ethyl ester, 2-(2,5-Dimethylphenyl)-2-oxoacetic acid ethyl ester,

Complexity	247
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	206.094g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	206.241g/mol
Monoisotopic Mass	206.094g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	43.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

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