Keyword(s): Food Contact Chemicals
Molecule Category Salt-form
EPA CompTox DTXSID10987095

Structure

InChI Key CFSHFBHKOKGZLR-UHFFFAOYSA-N
Smiles O=C1CCC(=O)O1.OCCN(CCO)CCO
InChI
InChI=1S/C6H15NO3.C4H4O3/c8-4-1-7(2-5-9)3-6-10;5-3-1-2-4(6)7-3/h8-10H,1-6H2;1-2H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H19NO6
Molecular Weight 249.12
AlogP -1.88
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 6.0
Polar Surface Area 107.3
Molecular species None
Aromatic Rings 0.0
Heavy Atoms 17.0

Cross References

Resources Reference
CAS NUMBER 67762-80-5
NORMAN SUSDAT
PubChem 163149