BIS(BENZOATE-O)(2-PROPANOLATO)ALUMINUM

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

Structure

InChI Key TZPOMCMYQHNEJQ-UHFFFAOYSA-L
Smiles CC(C)[O-].C1=CC=C(C=C1)C(=O)[O-].C1=CC=C(C=C1)C(=O)[O-].[Al+3]
InChI
InChI=1S/2C7H6O2.C3H7O.Al/c2*8-7(9)6-4-2-1-3-5-6;1-3(2)4;/h2*1-5H,(H,8,9);3H,1-2H3;/q;;-1;+3/p-2

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H17AlO5
Molecular Weight 328.09
AlogP -0.53
Hydrogen Bond Acceptor 5.0
Number of Rotational Bond 2.0
Polar Surface Area 103.32
Heavy Atoms 23.0

Cross References

Resources Reference
CAS NUMBER 105442-85-1
NORMAN SUSDAT
PubChem 22607062
CONTENTS