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

Structure

InChI Key AFENDNXGAFYKQO-UHFFFAOYSA-N
Smiles [Na+].CCC(O)C([O-])=O;CCC(O)C(O)=O
InChI
InChI=1S/C4H8O3/c1-2-3(5)4(6)7/h3,5H,2H2,1H3,(H,6,7)

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H8O3
Molecular Weight 104.05
AlogP -0.16
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 57.53
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 19054-57-0
NORMAN SUSDAT