AG00ES0N

Name: BENZYL 4-OXOCYCLOHEXANECARBOXYLATE
Brand: Angene Chemical
SKU: AG00ES0N

62596-26-3 | BENZYL 4-OXOCYCLOHEXANECARBOXYLATE

AG00ES0N

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CAS Number	62596-26-3
Catalog Number	AG00ES0N(AGN-PC-00P47H)
Chemical Name	BENZYL 4-OXOCYCLOHEXANECARBOXYLATE
IUPAC Name	benzyl 4-oxocyclohexane-1-carboxylate
InChI	InChI=1S/C14H16O3/c15-13-8-6-12(7-9-13)14(16)17-10-11-4-2-1-3-5-11/h1-5,12H,6-10H2
InChI Key	AMDOCFYEPPIDNK-UHFFFAOYSA-N
MDL Number	MFCD11113219
Molecular Formula	C14H16O3
Molecular Weight	232.2750
SMILES	O=C(OCC1=CC=CC=C1)C2CCC(CC2)=O
Synonyms	benzyl 4-oxocyclohexanecarboxylate, 62596-26-3, Cyclohexanecarboxylic acid, 4-oxo-, phenylmethyl ester, SCHEMBL850782, CTK2F1874, DTXSID30572346, AMDOCFYEPPIDNK-UHFFFAOYSA-N, benzyl 4-oxocyclohexane carboxylate, MFCD11113219, ZINC40435314, BC686617, SC-66101, 4-Oxocyclohexanecarboxylic acid benzyl ester, 4-oxo-cyclohexanecarboxylic acid benzyl ester, BENZYL 4-OXOCYCLOHEXANE-1-CARBOXYLATE, FT-0735178, 4-ketocyclohexane carboxylic acid phenylmethyl ester, A1-07820, CYCLOHEXANECARBOXYLIC ACID, 4-OXO-, PHENYLMETHYL E, Cyclohexanecarboxylicacid,4-oxo-,phenylmethylester,

Complexity	269
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	232.11g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	232.279g/mol
Monoisotopic Mass	232.11g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	43.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

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