Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 20GU0RN3QJ
EPA CompTox DTXSID60157069

Structure

InChI Key ONSWVOSXVUHESJ-UHFFFAOYSA-N
Smiles OCCOCO
InChI
InChI=1S/C3H8O3/c4-1-2-6-3-5/h4-5H,1-3H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H8O3
Molecular Weight 92.05
AlogP -1.05
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 49.69
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 13149-79-6
NORMAN SUSDAT
FDA SRS 20GU0RN3QJ
PubChem 3014716
ChemSpider 2283029.0