5-OXOOCTANOIC ACID

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Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 6ID3A8OXKR
EPA CompTox DTXSID90189893

Structure

InChI Key OHGVWVVPDOAZSH-UHFFFAOYSA-N
Smiles CCCC(=O)CCCC(O)=O
InChI
InChI=1S/C8H14O3/c1-2-4-7(9)5-3-6-8(10)11/h2-6H2,1H3,(H,10,11)

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H14O3
Molecular Weight 158.09
AlogP 1.61
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 54.37
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 3637-14-7
NORMAN SUSDAT
FDA SRS 6ID3A8OXKR
CONTENTS