Structure

InChI Key JRQRPEHDMUHRBE-UHFFFAOYSA-N
Smiles CC(O)=O.COCCCO
InChI
InChI=1S/C4H10O2.C2H4O2/c1-6-4-2-3-5;1-2(3)4/h5H,2-4H2,1H3;1H3,(H,3,4)

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H14O4
Molecular Weight 150.09
AlogP 0.11
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 66.76
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 41448-83-3
NORMAN SUSDAT