Structure

InChI Key GQTFHSAAODFMHB-UHFFFAOYSA-N
Smiles C=CC(=O)OCCS(=O)(=O)O
InChI
InChI=1S/C5H8O5S/c1-2-5(6)10-3-4-11(7,8)9/h2H,1,3-4H2,(H,7,8,9)

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H8O5S
Molecular Weight 180.01
AlogP -0.4
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 80.67
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 40074-09-7
NORMAN SUSDAT
PubChem 14007811