OCT-4-ENEDIOIC ACID

/static/temp/default.svg Search structure
Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID50931638

Structure

InChI Key LQVYKEXVMZXOAH-UHFFFAOYSA-N
Smiles O=C(O)CCC=CCCC(=O)O
InChI
InChI=1/C8H12O4/c9-7(10)5-3-1-2-4-6-8(11)12/h1-2H,3-6H2,(H,9,10)(H,11,12)

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H12O4
Molecular Weight 172.07
AlogP 1.27
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 6.0
Polar Surface Area 74.6
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 14277-16-8
NORMAN SUSDAT
PubChem 84313
CONTENTS