Structure

InChI Key XJHMOGCOFPLTNG-UHFFFAOYSA-N
Smiles CC(C)(OO)OO
InChI
InChI=1S/C3H8O4/c1-3(2,6-4)7-5/h4-5H,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H8O4
Molecular Weight 108.04
AlogP 0.7
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 58.92
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 1336-17-0
NORMAN SUSDAT
FDA SRS 3O959710YK
PubChem 15908632