BARIUM BIS(NONYLPHENOLATE)

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Keyword(s): Plastic additives ; Food Contact Chemicals
Molecule Category Salt-form

Structure

InChI Key SBMJKCDBJMFHGS-UHFFFAOYSA-L
Smiles [Ba+2].CCCCCCCCCc1ccccc1[O-].CCCCCCCCCc2ccccc2[O-]
InChI
InChI=1/2C15H24O.Ba/c2*1-2-3-4-5-6-7-8-11-14-12-9-10-13-15(14)16;/h2*9-10,12-13,16H,2-8,11H2,1H3;/q;;+2/p-2

Physicochemical Descriptors

Property Name Value
Molecular Formula C30H46BaO2
Molecular Weight 576.26
AlogP 7.73
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 16.0
Polar Surface Area 46.12
Heavy Atoms 33.0

Cross References

Resources Reference
CAS NUMBER 28987-17-9
NORMAN SUSDAT
CONTENTS