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Ammonium Ferric Citrate
CAS: 1185-57-5 | C6H11FeNO7
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1185-57-5
Molecular Formula:
C6H11FeNO7
Molecular Mass:
265.00 g/mol
Names and Synonyms:
Ammonium Ferric Citrate
1,2,3-Propanetricarboxylic acid, 2-hydroxy-, ammonium iron(3+) salt (1:?:?)
Citric acid, ammonium iron(3+) salt
1,2,3-Propanetricarboxylic acid, 2-hydroxy-, ammonium iron(3+) salt
Ferric ammonium citrate
Ammonium iron(III) citrate
Ammonium ferric citrate
FAC
Iron(III) ammonium citrate
E 381
FerriSeltz powder
Identifiers:
SMILES:
N.O=C(O)CC(O)(CC(=O)O)C(=O)O.[Fe]
InChI:
InChI=1S/C6H8O7.Fe.H3N/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
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 265.00 g/mol | CAS Common Chemistry |
| 264.999 g/mol | RDKit | |
| 264.98848919200003 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Ammonium_ferric_citrate | CAS Common Chemistry |
| Canonical SMILES | [Fe].O=C(O)CC(O)(C(=O)O)CC(=O)O.N | CAS Common Chemistry |
| InChI | InChI=1S/C6H8O7.Fe.H3N/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 | CAS Common Chemistry |
| InChI Key | InChIKey=PLKYGPRDCKGEJH-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Ferric ammonium citrate | CAS Common Chemistry |
| Ammonium ferric citrate | CAS Common Chemistry | |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 5 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 167.12999999999997 Ų | RDKit |
| LogP | -1.0890000000000009 | RDKit |
| Molar Refractivity | 42.11330000000002 | RDKit |
