AG00GJIF

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CAS Number	80912-51-2
Catalog Number	AG00GJIF(AGN-PC-02V6EX)
Chemical Name	Methyl 1-(4-fluorophenyl)-4-oxocyclohexanecarboxylate
IUPAC Name	methyl 1-(4-fluorophenyl)-4-oxocyclohexane-1-carboxylate
InChI	InChI=1S/C14H15FO3/c1-18-13(17)14(8-6-12(16)7-9-14)10-2-4-11(15)5-3-10/h2-5H,6-9H2,1H3
InChI Key	NCQFIBJQOZPYOI-UHFFFAOYSA-N
MDL Number	MFCD22423113
Molecular Formula	C14H15FO3
Molecular Weight	250.2655
SMILES	FC2(=CC=C(C1(C(=O)OC)(CCC(=O)CC1))C=C2)
Synonyms	80912-51-2, methyl 1-(4-fluorophenyl)-4-oxocyclohexane-1-carboxylate, Methyl 1-(4-Fluorophenyl)-4-oxocyclohexanecarboxylate, Methyl 1-(4-Fluorophenyl)-4-oxocyclohexanecarboxylat, SCHEMBL11047897, CTK8E1858, DTXSID20608502, NCQFIBJQOZPYOI-UHFFFAOYSA-N, KS-00002B1P, 0007AF, MFCD22423113, ZINC90513059, AKOS025401795, SS-3593, AC-25587, PC200377, SY020207, TC-308375, MFCD22423113 (95%), C14H15FO3, 104-87-0,

Complexity	322
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	250.101g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	250.269g/mol
Monoisotopic Mass	250.101g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	43.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

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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