Keyword(s): Human Metabolites
Molecule Category Free-form
UNII Y455KS1U7Q
EPA CompTox DTXSID8062230

Structure

InChI Key OFNISBHGPNMTMS-UHFFFAOYSA-N
Smiles C=C1CC(=O)OC1=O
InChI
InChI=1S/C5H4O3/c1-3-2-4(6)8-5(3)7/h1-2H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H4O3
Molecular Weight 112.02
AlogP 0.02
Hydrogen Bond Acceptor 3.0
Polar Surface Area 43.37
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 2170-03-8
NORMAN SUSDAT
FDA SRS Y455KS1U7Q
PubChem 75110
ChemSpider 19970689.0