Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 105NP7PMXX
EPA CompTox DTXSID8060660

Structure

InChI Key AYKYXWQEBUNJCN-UHFFFAOYSA-N
Smiles CC1=CC(=O)OC1=O
InChI
InChI=1S/C5H4O3/c1-3-2-4(6)8-5(3)7/h2H,1H3

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 616-02-4
NORMAN SUSDAT
FDA SRS 105NP7PMXX
PubChem 12012
ChemSpider 11517.0