Structure

InChI Key WKZJASQVARUVAW-UHFFFAOYSA-M
Smiles [K+].OC(=O)CC(O)(CC(=O)[O-])C(=O)O
InChI
InChI=1/C6H8O7.K/c7-3(8)1-6(13,5(11)12)2-4(9)10;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);/q;+1/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H7KO7
Molecular Weight 229.98
AlogP -5.58
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 5.0
Polar Surface Area 134.96
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 7778-49-6
NORMAN SUSDAT