BARIUM NEODECANOATE

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Keyword(s): Drinking Water Chemicals ; Food Contact Chemicals ; Plastic additives
Molecule Category Free-form
UNII 6V96R5G8MM
EPA CompTox DTXSID9044956

Structure

InChI Key ROSHGJWNZDDJFF-UHFFFAOYSA-L
Smiles CC(C)(C)CC(C)(C)CC(=O)O[Ba]OC(=O)CC(C)(C)CC(C)(C)C
InChI
InChI=1/2C10H20O2.Ba/c2*1-9(2,3)7-10(4,5)6-8(11)12;/h2*6-7H2,1-5H3,(H,11,12);/q;;+2/p-2

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H20O2.1/2Ba
Molecular Weight 480.18
AlogP 2.8
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 6.0
Polar Surface Area 80.26
Heavy Atoms 25.0

Cross References

Resources Reference
CAS NUMBER 55172-98-0
NORMAN SUSDAT
FDA SRS 6V96R5G8MM
CONTENTS