Structure

InChI Key SMZOGRDCAXLAAR-UHFFFAOYSA-N
Smiles [Al+3].CC(C)[O-].CC(C)[O-].CC(C)[O-]
InChI
InChI=1/3C3H7O.Al/c3*1-3(2)4;/h3*3H,1-2H3;/q3*-1;+3

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H8O.1/3Al
Molecular Weight 204.13
AlogP -1.12
Hydrogen Bond Acceptor 3.0
Polar Surface Area 69.18
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 555-31-7
NORMAN SUSDAT
FDA SRS R7486191H8