Structure

InChI Key FYPVXEILSNEKOO-UHFFFAOYSA-L
Smiles [Ca+2].CCCC(=O)[O-].CCCC(=O)[O-]
InChI
InChI=1/2C4H8O2.Ca/c2*1-2-3-4(5)6;/h2*2-3H2,1H3,(H,5,6);/q;;+2/p-2

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H14CaO4
Molecular Weight 214.05
AlogP -1.31
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 4.0
Polar Surface Area 80.26
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 5743-36-2
NORMAN SUSDAT