Keyword(s): Human Metabolites
Molecule Category Free-form
UNII FGL8577C9S
EPA CompTox DTXSID7044552

Structure

InChI Key HQQUTGFAWJNQIP-UHFFFAOYSA-K
Smiles CC(=O)O[Al](O)OC(=O)C
InChI
InChI=1S/2C2H4O2.Al.H2O/c2*1-2(3)4;;/h2*1H3,(H,3,4);;1H2/q;;+3;/p-3

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H7AlO5
Molecular Weight 162.01
AlogP -3.05
Hydrogen Bond Acceptor 5.0
Polar Surface Area 110.26
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 142-03-0
NORMAN SUSDAT
FDA SRS FGL8577C9S
PubChem 10197832
ChemSpider 21106083.0