Keyword(s): Food Contact Chemicals
Molecule Category Salt-form
EPA CompTox DTXSID90813646

Structure

InChI Key VLNXNCCWCTUGSE-UHFFFAOYSA-N
Smiles OC=O.OC=O.OCCCCO
InChI
InChI=1S/C4H10O2.2CH2O2/c5-3-1-2-4-6;2*2-1-3/h5-6H,1-4H2;2*1H,(H,2,3)

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H14O6
Molecular Weight 182.08
AlogP -0.85
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 3.0
Polar Surface Area 115.06
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 61836-76-8
NORMAN SUSDAT
PubChem 71391820