Keyword(s): Food Contact Chemicals
Molecule Category Salt-form
EPA CompTox DTXSID7070896

Structure

InChI Key PRGAWFXXABCMIW-UHFFFAOYSA-L
Smiles [Mg++].[O-]C1=C2N=CC=CC2=CC=C1.[O-]C1=C2N=CC=CC2=CC=C1
InChI
InChI=1S/2C9H7NO.Mg/c2*11-8-5-1-3-7-4-2-6-10-9(7)8;/h2*1-6,11H;/q;;+2/p-2

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H12MgN2O2
Molecular Weight 312.07
AlogP 2.24
Hydrogen Bond Acceptor 4.0
Polar Surface Area 71.9
Heavy Atoms 23.0

Cross References

Resources Reference
CAS NUMBER 14639-28-2
NORMAN SUSDAT
PubChem 106206