11-FORMYLUNDECA-4,8-DIENOIC ACID

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

Structure

InChI Key SSFYNRWKIMUJHG-UHFFFAOYSA-N
Smiles O=CCCC=CCCC=CCCC(=O)O
InChI
InChI=1/C12H18O3/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h3-6,11H,1-2,7-10H2,(H,14,15)

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H18O3
Molecular Weight 210.13
AlogP 2.72
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 9.0
Polar Surface Area 54.37
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 55348-86-2
NORMAN SUSDAT
PubChem 3016959
CONTENTS