COBALT(2+) BIS(8-METHYLNONANOATE)

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Keyword(s): Food Contact Chemicals
Molecule Category Free-form
EPA CompTox DTXSID401004451

Structure

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

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H38CoO4
Molecular Weight 401.21
AlogP 3.46
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 14.0
Polar Surface Area 80.26
Heavy Atoms 25.0

Cross References

Resources Reference
CAS NUMBER 84195-99-3
NORMAN SUSDAT
PubChem 44147442
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