Keyword(s): Food Contact Chemicals
Molecule Category Free-form
EPA CompTox DTXSID90431965

Structure

InChI Key VGBKDMBHXYUKRX-UHFFFAOYSA-N
Smiles OOC(=O)CC(O)(CC(=O)OO)C(=O)OO
InChI
InChI=1S/C6H8O10/c7-3(14-11)1-6(10,5(9)16-13)2-4(8)15-12/h10-13H,1-2H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H8O10
Molecular Weight 240.01
AlogP -1.45
Hydrogen Bond Acceptor 10.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 5.0
Polar Surface Area 159.82
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 127542-88-5
NORMAN SUSDAT
PubChem 9859577