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Ferric Ammonium Oxalate
CAS: 14221-47-7 | C6H12FeN3O12
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
14221-47-7
Molecular Formula:
C6H12FeN3O12
Molecular Mass:
374.02 g/mol
Names and Synonyms:
Ferric Ammonium Oxalate
Ferrate(3-), tris[ethanedioato(2-)-κO1,κO2]-, ammonium (1:3), (OC-6-11)-
Ferrate(3-), tris(oxalato)-, triammonium
Ferrate(3-), tris[ethanedioato(2-)-O,O′]-, triammonium, (OC-6-11)-
Ammonium tris(oxalato)ferrate(III)
Ferrate(3-), tris[ethanedioato(2-)-κO1,κO2]-, triammonium, (OC-6-11)-
Ammonium ferric oxalate
Ammonium ferrioxalate
Triammonium tris(oxalato)ferrate(3-)
Ferric ammonium oxalate
Triammonium trioxalatoferrate(3-)
Triammonium iron trioxalate
Tris(ammonium) trioxalatoferrate(3-)
Triammonium trioxalatoferrate
Identifiers:
SMILES:
N.N.N.O=C(O)C(=O)O.O=C([O-])C(=O)O.O=C([O-])C(=O)[O-].[Fe+3]
InChI:
InChI=1S/3C2H2O4.Fe.3H3N/c3*3-1(4)2(5)6;;;;/h3*(H,3,4)(H,5,6);;3*1H3/q;;;+3;;;/p-3
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 | 374.02 g/mol | CAS Common Chemistry |
| 374.0160000000001 g/mol | RDKit | |
| 373.9770353239999 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Ferric_ammonium_oxalate | CAS Common Chemistry |
| Canonical SMILES | O=C1[O-][Fe+3]23([O-]C1=O)([O-]C(=O)C(=O)[O-]2)[O-]C(=O)C(=O)[O-]3.[NH4+] | CAS Common Chemistry |
| InChI | InChI=1S/3C2H2O4.Fe.3H3N/c3*3-1(4)2(5)6;;;;/h3*(H,3,4)(H,5,6);;3*1H3/q;;;+3;;;/p-3 | CAS Common Chemistry |
| InChI Key | InChIKey=UEUDBBQFZIMOQJ-UHFFFAOYSA-K | CAS Common Chemistry |
| Name | Triammonium tris(oxalato)ferrate(3-) | CAS Common Chemistry |
| Ferric ammonium oxalate | CAS Common Chemistry | |
| Heavy Atom Count | 22 | RDKit |
| Hydrogen Bond Acceptors | 12 | RDKit |
| Hydrogen Bond Donors | 6 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 337.28999999999996 Ų | RDKit |
| LogP | -6.053799999999999 | RDKit |
| Molar Refractivity | 52.99469999999997 | RDKit |
