6-OCTENAL

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Keyword(s): Human Metabolites
Molecule Category Free-form
UNII I404D38CYO
EPA CompTox DTXSID40866985

Structure

InChI Key KVNBGNGISDIZRP-UHFFFAOYSA-N
Smiles CC=CCCCCC=O
InChI
InChI=1S/C8H14O/c1-2-3-4-5-6-7-8-9/h2-3,8H,4-7H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H14O1
Molecular Weight 126.1
AlogP 2.32
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 17.07
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 63826-25-5
NORMAN SUSDAT
FDA SRS I404D38CYO
CONTENTS