Keyword(s): Human Metabolites
Molecule Category Free-form
UNII YRZ676PGU6
EPA CompTox DTXSID8060115

Structure

InChI Key RKDVKSZUMVYZHH-UHFFFAOYSA-N
Smiles O=C1COC(=O)CO1
InChI
InChI=1S/C4H4O4/c5-3-1-7-4(6)2-8-3/h1-2H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H4O4
Molecular Weight 116.01
AlogP -0.91
Hydrogen Bond Acceptor 4.0
Polar Surface Area 52.6
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 502-97-6
NORMAN SUSDAT
FDA SRS YRZ676PGU6
PubChem 65432
ChemSpider 58895.0