Keyword(s): Human Metabolites
Molecule Category Free-form

Structure

InChI Key BQBCXNQILNPAPX-UHFFFAOYSA-N
Smiles CO[Al](C)C
InChI
InChI=1S/CH3O.2CH3.Al/c1-2;;;/h1H3;2*1H3;/q-1;;;+1

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H9Al1O1
Molecular Weight 88.05
AlogP -0.5
Hydrogen Bond Acceptor 1.0
Polar Surface Area 23.06
Heavy Atoms 5.0

Cross References

Resources Reference
CAS NUMBER 120144-90-3
NORMAN SUSDAT