Keyword(s): Human Metabolites
Molecule Category Free-form
UNII IQ3Q79344S
EPA CompTox DTXSID9060287

Structure

InChI Key LOMVENUNSWAXEN-UHFFFAOYSA-N
Smiles COC(=O)C(=O)OC
InChI
InChI=1S/C4H6O4/c1-7-3(5)4(6)8-2/h1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H6O4
Molecular Weight 118.03
AlogP -0.67
Hydrogen Bond Acceptor 4.0
Polar Surface Area 52.6
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 553-90-2
NORMAN SUSDAT
FDA SRS IQ3Q79344S
PubChem 11120
ChemSpider 10649.0