ALUMINUM, (2-BUTANOLATO)BIS(ETHYL 3-OXOBUTANOATO-O1^'^,O3^)-

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Keyword(s): Food Contact Chemicals
Molecule Category Free-form
EPA CompTox DTXSID60893773

Structure

InChI Key QMKXJIUGTLIORT-UHFFFAOYSA-N
Smiles [Al+3].CCC(C)[O-].CCOC(=O)[CH-]C(C)=O.CCOC(=O)[CH-]C(C)=O
InChI
InChI=1S/2C6H9O3.C4H9O.Al/c2*1-3-9-6(8)4-5(2)7;1-3-4(2)5;/h2*4H,3H2,1-2H3;4H,3H2,1-2H3;/q3*-1;+3

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H27AlO7
Molecular Weight 358.16
AlogP 0.45
Hydrogen Bond Acceptor 7.0
Number of Rotational Bond 7.0
Polar Surface Area 109.8
Heavy Atoms 24.0

Cross References

Resources Reference
CAS NUMBER 93918-06-0
NORMAN SUSDAT
PubChem 133112747
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