Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID80864900

Structure

InChI Key OVJJVYHDJVQFSF-UHFFFAOYSA-N
Smiles O=C(OC)C(O)OC
InChI
InChI=1/C4H8O4/c1-7-3(5)4(6)8-2/h3,5H,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H8O4
Molecular Weight 120.04
AlogP -0.88
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 55.76
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 19757-97-2
NORMAN SUSDAT
PubChem 2724791