2-Methyl-3-oxobutanoic acid
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2-Methyl-3-oxobutanoic acid
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CAS No:
2382-59-4
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Formula:
C5H8O3
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Chemical Name:
2-Methyl-3-oxobutanoic acid
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Synonyms:
Butanoic acid,2-methyl-3-oxo-;Acetoacetic acid,2-methyl-;2-Methyl-3-oxobutanoic acid;Propanoic acid,2-acetyl-;α-Methylacetoacetic acid;2-Methylacetoacetic acid;2-Methyl-3-oxobutyric acid;2-Methyl-3-ketobutyric acid;3-Oxo-2-methylbutyric acid;2-Acetylpropionic acid;(±)-2-Methyl-3-oxobutanoic acid;152322-25-3
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CAS No:
Description
ChEBI: A 3-oxo monocarboxylic acid that is acetoacetic acid which is substituted at position 2 by a methyl group.
2-methylacetoacetic acid is a 3-oxo monocarboxylic acid that is acetoacetic acid which is substituted at position 2 by a methyl group. It derives from a butyric acid and an acetoacetic acid. It is a conjugate acid of a 2-methylacetoacetate.
2-Methyl-3-oxobutanoic acid Use and Manufacturing
Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Oxo fatty acids [FA0106]
Computed Properties
Molecular Weight:116.11
XLogP3:0.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:116.047344113
Monoisotopic Mass:116.047344113
Topological Polar Surface Area:54.4
Heavy Atom Count:8
Complexity:117
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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