Keyword(s): Food Contact Chemicals
Molecule Category Free-form
EPA CompTox DTXSID40886345

Structure

InChI Key JSJFLHPWPFCJTN-UHFFFAOYSA-N
Smiles COP(=O)(OC)OP(O)(O)=O
InChI
InChI=1S/C2H8O7P2/c1-7-11(6,8-2)9-10(3,4)5/h1-2H3,(H2,3,4,5)

Physicochemical Descriptors

Property Name Value
Molecular Formula C2H8O7P2
Molecular Weight 205.97
AlogP 0.5
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 102.29
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 68155-93-1
NORMAN SUSDAT
PubChem 172142