(7Z,9E)-DODECA-7,9-DIENYL ACETATE

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Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID301014954

Structure

InChI Key LLRZUAWETKPZJO-SCFJQAPRSA-N
Smiles CC(=O)OC=CC=CCCCCCCCC
InChI
InChI=1S/C14H24O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15/h4-7H,3,8-13H2,1-2H3/b5-4-,7-6+

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H24O2
Molecular Weight 224.18
AlogP 4.02
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 9.0
Polar Surface Area 26.3
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 54364-62-4
NORMAN SUSDAT
CONTENTS