Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID70369232

Structure

InChI Key SGMJBNSHAZVGMC-STHAYSLISA-N
Smiles O=C1OCC(O)C1O
InChI
InChI=1S/C4H6O4/c5-2-1-8-4(7)3(2)6/h2-3,5-6H,1H2/t2-,3+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H6O4
Molecular Weight 118.03
AlogP -1.74
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Polar Surface Area 66.76
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 21730-93-8
NORMAN SUSDAT