AG01BDN4

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CAS Number	22084-69-1
Catalog Number	AG01BDN4(AGN-PC-0NABW9)
Chemical Name	ethyl 4-methylheptanoate
IUPAC Name	ethyl 4-methylheptanoate
InChI	InChI=1S/C10H20O2/c1-4-6-9(3)7-8-10(11)12-5-2/h9H,4-8H2,1-3H3
InChI Key	NYSADWJQUICPEE-UHFFFAOYSA-N
MDL Number	MFCD28023649
Molecular Formula	C10H20O2
Molecular Weight	172.2646
SMILES	CCCC(CCC(OCC)=O)C
Synonyms	Ethyl 4-methylheptanoate, ethyl 4-methyl-heptanoate, 22084-69-1, SCHEMBL4036129, NYSADWJQUICPEE-UHFFFAOYSA-N, 4-Methylheptanoic acid ethyl ester, LMFA07010518, AKOS030756022, MCULE-9209148912, Heptanoic acid, 4-methyl-, ethyl ester, WE(2:0/7:0(4Me)), Z1849039692, CID10773534, WE(10:0),

Complexity	121
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	172.146g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	172.268g/mol
Monoisotopic Mass	172.146g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	3.2

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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