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Home > Encyclopedia > 4,7-dioxooctanoic acid

4,7-dioxooctanoic acid

4,7-dioxooctanoic acid structure

4,7-dioxooctanoic acid 

structure
  • CAS No:

    20577-46-2

  • Formula:

    C8H12O4

  • Chemical Name:

    4,7-dioxooctanoic acid

  • 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

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 Basic Attributes

172.18 g/mol

172.07355886 g/mol

54637

DTXSID60288180

Characteristics

71.4 Ų

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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