AG00EFYA

Name: 4-Oxo-4-(4-trifluoromethylphenyl)butyric acid
Brand: Angene Chemical
SKU: AG00EFYA

58457-56-0 | 4-Oxo-4-(4-trifluoromethylphenyl)butyric acid

AG00EFYA

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CAS Number	58457-56-0
Catalog Number	AG00EFYA(AGN-PC-0SPURL)
Chemical Name	4-Oxo-4-(4-trifluoromethylphenyl)butyric acid
IUPAC Name	4-oxo-4-[4-(trifluoromethyl)phenyl]butanoic acid
InChI	InChI=1S/C11H9F3O3/c12-11(13,14)8-3-1-7(2-4-8)9(15)5-6-10(16)17/h1-4H,5-6H2,(H,16,17)
InChI Key	XBTRBFQQDDYMFC-UHFFFAOYSA-N
MDL Number	MFCD02260921
Molecular Formula	C11H9F3O3
Molecular Weight	246.1826
SMILES	O=C(CCC(=O)O)C1=CC=C(C=C1)C(F)(F)F
Synonyms	4-OXO-4-(4-TRIFLUOROMETHYLPHENYL)BUTYRIC ACID, 58457-56-0, SCHEMBL5060636, CTK5A8336, DTXSID90598229, ZINC2579914, 7141b, MFCD02260921, AKOS005216826, BC4318292, 4-oxo-4-[4-(trifluoromethyl)phenyl]butanoic acid,

Complexity	291
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	246.05g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	246.185g/mol
Monoisotopic Mass	246.05g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	54.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

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