Keyword(s): Human Metabolites
Molecule Category Free-form
UNII ZD32358XMG
EPA CompTox DTXSID10183191

Structure

InChI Key KVGZZAHHUNAVKZ-UHFFFAOYSA-N
Smiles O1C=COC=C1
InChI
InChI=1S/C4H4O2/c1-2-6-4-3-5-1/h1-4H

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H4O2
Molecular Weight 84.02
AlogP 0.98
Hydrogen Bond Acceptor 2.0
Polar Surface Area 18.46
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 290-67-5
NORMAN SUSDAT
FDA SRS ZD32358XMG