Keyword(s): Human Metabolites
Molecule Category Free-form
UNII IJ13TO4NO1
EPA CompTox DTXSID5049655

Structure

InChI Key JJTUDXZGHPGLLC-IMJSIDKUSA-N
Smiles C[C@@H]1OC(=O)[C@H](C)OC1=O
InChI
InChI=1S/C6H8O4/c1-3-5(7)10-4(2)6(8)9-3/h3-4H,1-2H3/t3-,4-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H8O4
Molecular Weight 144.04
AlogP -0.14
Hydrogen Bond Acceptor 4.0
Polar Surface Area 52.6
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 4511-42-6
NORMAN SUSDAT
FDA SRS IJ13TO4NO1