AG0078OM

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CAS Number	3757-32-2
Catalog Number	AG0078OM(AGN-PC-0JLQNC)
Chemical Name	iso-butyl levulinate
EC Number	223-162-6
IUPAC Name	2-methylpropyl 4-oxopentanoate
InChI	InChI=1S/C9H16O3/c1-7(2)6-12-9(11)5-4-8(3)10/h7H,4-6H2,1-3H3
InChI Key	WETOYPNHZMSVFZ-UHFFFAOYSA-N
MDL Number	MFCD24390044
Molecular Formula	C9H16O3
Molecular Weight	172.2215
NSC Number	40954
SMILES	CC(COC(=O)CCC(=O)C)C
Synonyms	iso-Butyl levulinate, Isobutyl 4-oxovalerate, isobutyl levulinate, 3757-32-2, 2-methylpropyl 4-oxopentanoate, Pentanoic acid, 4-oxo-, 2-methylpropyl ester, NSC40954, EINECS 223-162-6, AI3-31915, AC1L2SWJ, AC1Q5H4B, Isobutyl 4-oxopentanoate #, SCHEMBL1533356, CTK4H8422, DTXSID20191005, WETOYPNHZMSVFZ-UHFFFAOYSA-N, ZINC1672376, NSC-40954, Isobutyl 4-oxopentanoate, CID77366, AR-1J2628, C9-H16-O3, 3964-54-3,

Complexity	161
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	172.11g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	172.224g/mol
Monoisotopic Mass	172.11g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	43.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1

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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