Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 2PFZ3Z96CY
EPA CompTox DTXSID101031782

Structure

InChI Key ZFIVKAOQEXOYFY-ZXZARUISSA-N
Smiles C1O[C@@H]1[C@H]2CO2
InChI
InChI=1S/C4H6O2/c1-3(5-1)4-2-6-4/h3-4H,1-2H2/t3-,4+

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H6O2
Molecular Weight 86.04
AlogP -0.22
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 25.06
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 564-00-1
NORMAN SUSDAT
FDA SRS 2PFZ3Z96CY