(2E,6Z)-DODECA-2,6-DIENOIC ACID

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

Structure

InChI Key RFHKVLKBWQIQDY-JFEAUALZSA-N
Smiles O=C(O)C=CCCC=CCCCCC
InChI
InChI=1/C12H20O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h6-7,10-11H,2-5,8-9H2,1H3,(H,13,14)

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H20O2
Molecular Weight 196.15
AlogP 3.54
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 8.0
Polar Surface Area 37.3
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 94088-26-3
NORMAN SUSDAT
PubChem 5312383
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