3-Oxohexanoic acid
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3-Oxohexanoic acid
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CAS No:
4380-91-0
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Formula:
C6H10O3
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Chemical Name:
3-Oxohexanoic acid
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Synonyms:
Hexanoic acid,3-oxo-;3-Oxohexanoic acid;Butyrylacetic acid;3-Ketohexanoic acid;Butanoylacetic acid;2-Oxopentanecarboxylic acid
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CAS No:
Description
Solid
3-oxohexanoic acid is a 3-oxo monocarboxylic acid. It derives from a hexanoic acid.
3-Oxohexanoic acid Use and Manufacturing
Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Oxo fatty acids [FA0106]
Computed Properties
Molecular Weight:130.14
XLogP3:0.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:130.062994177
Monoisotopic Mass:130.062994177
Topological Polar Surface Area:54.4
Heavy Atom Count:9
Complexity:118
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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