2,4-HEXADIENOIC ACID, ALUMINUM SALT, (E,E)-

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

Structure

InChI Key UUGHYISAEYRDII-KWYLWIMLSA-K
Smiles C/C=C/C=C/C(=O)[O-].C/C=C/C=C/C(=O)[O-].C/C=C/C=C/C(=O)[O-].[Al+3]
InChI
InChI=1S/3C6H8O2.Al/c3*1-2-3-4-5-6(7)8;/h3*2-5H,1H3,(H,7,8);/q;;;+3/p-3/b3*3-2+,5-4+;

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H21AlO6
Molecular Weight 360.12
AlogP -0.77
Hydrogen Bond Acceptor 6.0
Number of Rotational Bond 6.0
Polar Surface Area 120.39
Heavy Atoms 25.0

Cross References

Resources Reference
CAS NUMBER 16899-72-2
NORMAN SUSDAT
PubChem 6444754
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