Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 3PYY0W5672
EPA CompTox DTXSID1038824

Structure

InChI Key YLVACWCCJCZITJ-UHFFFAOYNA-N
Smiles OC1OCCOC1O
InChI
InChI=1S/C4H8O4/c5-3-4(6)8-2-1-7-3/h3-6H,1-2H2/t3-,4+

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H8O4
Molecular Weight 120.04
AlogP -1.33
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Polar Surface Area 58.92
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 4845-50-5
NORMAN SUSDAT
FDA SRS 3PYY0W5672
ChemSpider 86812.0