OCTATRIENOIC ACID

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Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 702XZO95X4

Structure

InChI Key IAAPVNQZSBLWKH-ZQCKCTFASA-N
Smiles CC=C/C=C/C=C/C(O)=O
InChI
InChI=1S/C8H10O2/c1-2-3-4-5-6-7-8(9)10/h2-7H,1H3,(H,9,10)/b3-2-,5-4+,7-6+

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H10O2
Molecular Weight 138.07
AlogP 1.76
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 37.3
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 5205-32-3
NORMAN SUSDAT
FDA SRS 702XZO95X4
CONTENTS