AG005B1R

Name: benzyl 3-methyl-2-oxobutanoate
Brand: Angene Chemical
SKU: AG005B1R

76585-78-9 | benzyl 3-methyl-2-oxobutanoate

AG005B1R

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CAS Number	76585-78-9
Catalog Number	AG005B1R(AGN-PC-0NGVJW)
Chemical Name	benzyl 3-methyl-2-oxobutanoate
IUPAC Name	benzyl 3-methyl-2-oxobutanoate
InChI	InChI=1S/C12H14O3/c1-9(2)11(13)12(14)15-8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
InChI Key	KKLBVJNMBJECIO-UHFFFAOYSA-N
MDL Number	MFCD30535923
Molecular Formula	C12H14O3
Molecular Weight	206.2378
SMILES	CC(C(C(OCC1=CC=CC=C1)=O)=O)C
Synonyms	benzyl 3-methyl-2-oxobutanoate, 76585-78-9, 3-Methyl-2-oxo-butyric acid benzyl ester, Butanoic acid, 3-methyl-2-oxo-, phenylmethyl ester, SCHEMBL306311, benzyl 3-methyl-2-oxobutyrate, benzyl 3-methyl-2-ketobutyrate, CTK2G7589, DTXSID90457241, KKLBVJNMBJECIO-UHFFFAOYSA-N, phenylmethyl 3-methyl-2-oxobutanoate, ZINC38312962, 2-Oxo-3-methylbutyric acid benzyl ester, Benzyl 3-methyl-2-oxo-butanoate, CID11160044,

Complexity	227
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	206.094g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	206.241g/mol
Monoisotopic Mass	206.094g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	43.4A^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