benzyl 2-methyl-3-oxobutanoate
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benzyl 2-methyl-3-oxobutanoate
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CAS No:
37526-93-5
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Formula:
C12H14O3
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Chemical Name:
benzyl 2-methyl-3-oxobutanoate
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Synonyms:
Benzyl 2-methyl-3-oxobutanoate;Benzyl 2-methylacetoacetate;C04000;37526-93-5;SCHEMBL2928989;CHEBI:16079;DTXSID90331476;BENZYL-2-METHYL-3-OXOBUTANOATE;2-methyl-3-oxo-butanoic acid benzyl ester;Q27098368
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CAS No:
Description
Benzyl 2-methyl-3-oxobutanoate is a benzyl ester obtained by the formal condensation of the carboxy group of 2-methylacetoacetic acid with the hydroxy group of benzyl alcohol. It is a fatty acid ester, a beta-ketoester, a methyl ketone and a benzyl ester. It derives from a 2-methylacetoacetic acid.
Computed Properties
Molecular Weight:206.24
XLogP3:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:206.094294304
Monoisotopic Mass:206.094294304
Topological Polar Surface Area:43.4
Heavy Atom Count:15
Complexity:229
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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