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Molecule
Ferric Ammonium Oxalate
CAS: 14221-47-7 · C6H12FeN3O12
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 14221-47-7
- Molecular Formula
- C6H12FeN3O12
- Molecular Mass
- 374.02 g/mol
Identifiers
CAS Registry Number
14221-47-7
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 Key
UEUDBBQFZIMOQJ-UHFFFAOYSA-K
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
Names and Synonyms
- Ferric Ammonium Oxalate Common Name
- Ferrate(3-), tris[ethanedioato(2-)-κO1,κO2]-, ammonium (1:3), (OC-6-11)- Synonym
- Ferrate(3-), tris(oxalato)-, triammonium Synonym
- Ferrate(3-), tris[ethanedioato(2-)-O,O′]-, triammonium, (OC-6-11)- Synonym
- Ammonium tris(oxalato)ferrate(III) Synonym
- Ferrate(3-), tris[ethanedioato(2-)-κO1,κO2]-, triammonium, (OC-6-11)- Synonym
- Ammonium ferric oxalate Synonym
- Ammonium ferrioxalate Synonym
- Triammonium tris(oxalato)ferrate(3-) Synonym
- Ferric ammonium oxalate Synonym
- Triammonium trioxalatoferrate(3-) Synonym
- Triammonium iron trioxalate Synonym
- Tris(ammonium) trioxalatoferrate(3-) Synonym
- Triammonium trioxalatoferrate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 374.02 g/mol | CAS Common Chemistry |
| 374.0160000000001 g/mol | RDKit | |
| 374.016 g/mol | RDKit | |
| 379.056 g/mol | chempirical lib | |
| 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 |
| 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 |
| 337.29 Ų | RDKit | |
| LogP | -6.053799999999999 | RDKit |
| -6.0538 | RDKit | |
| Molar Refractivity | 52.99469999999997 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 373.9770353239999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 374.02 g/mol. Edit any field — others recompute live.
