Keyword(s): Human Metabolites
Molecule Category Free-form
UNII P0TFZ8R21Y
EPA CompTox DTXSID30239240

Structure

InChI Key SEEYREPSKCQBBF-UHFFFAOYSA-N
Smiles CN1C(=O)C=CC1=O
InChI
InChI=1S/C5H5NO2/c1-6-4(7)2-3-5(6)8/h2-3H,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H5N1O2
Molecular Weight 111.03
AlogP -0.46
Hydrogen Bond Acceptor 2.0
Polar Surface Area 37.38
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 930-88-1
NORMAN SUSDAT
FDA SRS P0TFZ8R21Y
PubChem 70261
ChemSpider 63446.0