Keyword(s): Human Metabolites
Molecule Category Free-form
UNII M8KTR8XA9M
EPA CompTox DTXSID50196124

Structure

InChI Key AXCZRQHGMPTZPR-UHFFFAOYSA-N
Smiles OC(O)C(O)O
InChI
InChI=1/C2H6O4/c3-1(4)2(5)6/h1-6H

Physicochemical Descriptors

Property Name Value
Molecular Formula C2H6O4
Molecular Weight 94.03
AlogP -2.39
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 1.0
Polar Surface Area 80.92
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 44307-07-5
NORMAN SUSDAT
FDA SRS M8KTR8XA9M
PubChem 3016424