ISONONANOIC ACID, CERIUM(3+) SALT

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Keyword(s): Food Contact Chemicals
Molecule Category Free-form
EPA CompTox DTXSID40234246

Structure

InChI Key GCGBGTXXCLJJAS-UHFFFAOYSA-K
Smiles [Ce+3].CC(C)CCCCCC([O-])=O.CC(C)CCCCCC([O-])=O.CC(C)CCCCCC([O-])=O
InChI
InChI=1S/3C9H18O2.Ce/c3*1-8(2)6-4-3-5-7-9(10)11;/h3*8H,3-7H2,1-2H3,(H,10,11);/q;;;+3/p-3

Physicochemical Descriptors

Property Name Value
Molecular Formula C27H51CeO6
Molecular Weight 611.27
AlogP 4.03
Hydrogen Bond Acceptor 6.0
Number of Rotational Bond 18.0
Polar Surface Area 120.39
Heavy Atoms 34.0

Cross References

Resources Reference
CAS NUMBER 85118-09-8
NORMAN SUSDAT
PubChem 56842642
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