UNDEC-8-ENAL

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Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID6052243

Structure

InChI Key DWQXOILNGUCNSH-UHFFFAOYSA-N
Smiles CCC=CCCCCCCC=O
InChI
InChI=1/C11H20O/c1-2-3-4-5-6-7-8-9-10-11-12/h3-4,11H,2,5-10H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H20O
Molecular Weight 168.15
AlogP 3.49
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 8.0
Polar Surface Area 17.07
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 58296-81-4
NORMAN SUSDAT
CONTENTS