Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 5965N8W85T

Structure

InChI Key ULWHHBHJGPPBCO-UHFFFAOYSA-N
Smiles CCC(O)O
InChI
InChI=1S/C3H8O2/c1-2-3(4)5/h3-5H,2H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H8O2
Molecular Weight 76.05
AlogP -0.29
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 40.46
Heavy Atoms 5.0

Cross References

Resources Reference
CAS NUMBER 26264-14-2
NORMAN SUSDAT
FDA SRS 5965N8W85T