(Z)-OCT-6-ENAL

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Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID20886560

Structure

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

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H14O
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 63196-64-5
NORMAN SUSDAT
PubChem 21158617
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