C.I. ACID YELLOW 9

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Keyword(s): Food Contact Chemicals
Molecule Category Free-form
UNII DBA6V571CO
EPA CompTox DTXSID00889458

Structure

InChI Key FPVGTPBMTFTMRT-UHFFFAOYSA-L
Smiles [Na+].[Na+].O=S([O-])(=O)c1cc(ccc1N)N=Nc2ccc(cc2)S([O-])(=O)=O
InChI
InChI=1/C12H11N3O6S2.2Na/c13-11-6-3-9(7-12(11)23(19,20)21)15-14-8-1-4-10(5-2-8)22(16,17)18;;/h1-7H,13H2,(H,16,17,18)(H,19,20,21);;/q;2*+1/p-2

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H9N3Na2O6S2
Molecular Weight 400.97
AlogP -4.5
Hydrogen Bond Acceptor 9.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 165.14
Heavy Atoms 25.0

Cross References

Resources Reference
CAS NUMBER 2706-28-7
NORMAN SUSDAT
FDA SRS DBA6V571CO
CONTENTS