Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 8BGJ5Z26A4
EPA CompTox DTXSID5021592

Structure

InChI Key RRLWYLINGKISHN-UHFFFAOYSA-N
Smiles CCOCO
InChI
InChI=1S/C3H8O2/c1-2-5-3-4/h4H,2-3H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H8O2
Molecular Weight 76.05
AlogP -0.03
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 29.46
Heavy Atoms 5.0

Cross References

Resources Reference
CAS NUMBER 10171-38-7
NORMAN SUSDAT
FDA SRS 8BGJ5Z26A4
PubChem 3014623
ChemSpider 2282973.0