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
Hydrogen Bond Donor 0.0
Number of Rotational Bond 6.0
Polar Surface Area 120.39
Molecular species None
Aromatic Rings 0.0
Heavy Atoms 25.0

Cross References

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