Structure

InChI Key UDZFXNUPTYGCAQ-UHFFFAOYSA-N
Smiles CC(C(=O)O)O.CC(C(=O)O)O.O=[Ti]
InChI
InChI=1S/2C3H6O3.O.Ti/c2*1-2(4)3(5)6;;/h2*2,4H,1H3,(H,5,6);;

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H12O7Ti
Molecular Weight 244.01
AlogP -1.22
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 2.0
Polar Surface Area 143.56
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 34747-99-4
NORMAN SUSDAT
PubChem 118182