FERRIC AMMONIUM CITRATE, BROWN
General Information
| Mainterm | FERRIC AMMONIUM CITRATE, BROWN |
| Doc Type | EAF |
| CAS Reg.No.(or other ID) | 1332-98-5 |
| Regnum |
184.1296 |
From www.fda.gov
Computed Descriptors
Download SDF| 2D Structure | |
| CID | 91758680 |
| IUPAC Name | azane;2-hydroxypropane-1,2,3-tricarboxylate;iron(3+);hydrate |
| InChI | InChI=1S/C6H8O7.Fe.H3N.H2O/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;1H3;1H2/q;+3;;/p-3 |
| InChI Key | DMDVEPIJCJGHPE-UHFFFAOYSA-K |
| Canonical SMILES | C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.N.O.[Fe+3] |
| Molecular Formula | C6H10FeNO8 |
From Pubchem
Computed Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 279.99 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 2 |
| Complexity | 211.0 |
| CACTVS Substructure Key Fingerprint | A A A D c c B i P A A A A A A g A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A G g A Q C A A A D E S A g A A A C A A A A g A I A A C Q C A I A A A A A A A A A A A F A A A A B A B Y A A A A A Q A A F I A A B A A D L J g A K A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A = = |
| Topological Polar Surface Area | 143.0 |
| Monoisotopic Mass | 279.976 |
| Exact Mass | 279.976 |
| Compound Is Canonicalized | True |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Isotope Atom Count | 0 |
| Covalently-Bonded Unit Count | 4 |
From Pubchem