4,7-dioxooctanoic acid
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4,7-dioxooctanoic acid
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CAS No:
20577-46-2
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Formula:
C8H12O4
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Chemical Name:
4,7-dioxooctanoic acid
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Synonyms:
4,7-dioxooctanoic acid;4,7-dioxo-octanoic acid;20577-46-2;NSC54637;4,7-dioxocaprylic acid;4,7-diketocaprylic acid;CHEBI:73742;DTXSID60288180;ZINC1685252;LMFA01060156;NSC-54637;AKOS024356604;MCULE-5526835762;ST50984570;Q27144082
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CAS No:
Description
4,7-dioxooctanoic acid is a dioxo monocarboxylic acid that is caprylic acid with the two oxo groups at the 4- and 7-positions. It has a role as a metabolite. It derives from an octanoic acid.
4,7-dioxooctanoic acid Use and Manufacturing
Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Oxo fatty acids [FA0106]
Computed Properties
Molecular Weight:172.18
XLogP3:-0.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:172.07355886
Monoisotopic Mass:172.07355886
Topological Polar Surface Area:71.4
Heavy Atom Count:12
Complexity:195
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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