(2E,6E)-NONA-2,6-DIENYL ETHANOATE.

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

Structure

InChI Key UHONGPVFPQQOSO-KQWYESAVSA-N
Smiles CC/C=C/CCC=CCOC(C)=O
InChI
InChI=1S/C11H18O2/c1-3-4-5-6-7-8-9-10-13-11(2)12/h4-5,8-9H,3,6-7,10H2,1-2H3/b5-4+,9-8+

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H18O2
Molecular Weight 182.13
AlogP 2.85
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 6.0
Polar Surface Area 26.3
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 67674-47-9
NORMAN SUSDAT
PubChem 6437117
ChemSpider 4941699.0
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