Keyword(s): Human Metabolites
Molecule Category Free-form
UNII NG86FBS267
EPA CompTox DTXSID70151997

Structure

InChI Key WCJLIWFWHPOTAC-UHFFFAOYSA-N
Smiles O=C1C(=O)C(=O)C(O)=C(O)C1=O
InChI
InChI=1/C6H2O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h7-8H

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H2O6
Molecular Weight 169.99
AlogP -2.59
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Polar Surface Area 108.74
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 118-76-3
NORMAN SUSDAT
FDA SRS NG86FBS267
PubChem 67050