Keyword(s): Food Contact Chemicals
Molecule Category Salt-form
EPA CompTox DTXSID1051305

Structure

InChI Key IFEAFZNULQCEHN-SEPHDYHBSA-L
Smiles [Cr+3].[O-][N+]([O-])=O.[O-]C(=O)C=CC([O-])=O
InChI
InChI=1S/C4H4O4.Cr.NO3/c5-3(6)1-2-4(7)8;;2-1(3)4/h1-2H,(H,5,6)(H,7,8);;/q;+3;-1/p-2/b2-1+;;

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H2CrNO7
Molecular Weight 227.92
AlogP -3.2
Hydrogen Bond Acceptor 7.0
Number of Rotational Bond 2.0
Polar Surface Area 146.46
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 39275-63-3
NORMAN SUSDAT
PubChem 138394845