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Iron(Ii) Oxalate
CAS: 516-03-0 | C2FeO4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
516-03-0
Molecular Formula:
C2FeO4
Molecular Weight:
143.863 g/mol
Names and Synonyms:
Iron(Ii) Oxalate
Ferrous oxalate (Fe(C2O4))
Oxalic acid, iron(2+) salt
Iron oxalate
Ferrous oxalate (1:1)
Iron(II) oxalate
Iron(2+) oxalate
Iron protoxalate
Ferrox
Ferrous oxalate
[Ethanedioato(2-)-κO1,κO2]iron
Iron, [ethanedioato(2-)-O,O′]-
Oxalic acid, iron(2+) salt (1:1)
Iron, [ethanedioato(2-)-κO1,κO2]-
Identifiers:
SMILES:
O=C([O-])C(=O)[O-].[Fe+2]
InChI:
InChI=1S/C2H2O4.Fe/c3-1(4)2(5)6;/h(H,3,4)(H,5,6);/q;+2/p-2
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 143.86 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Iron(II)_oxalate None | Legacy Database |
| cas-canonical-smile | O=C1O[Fe]OC1=O None | Legacy Database |
| cas-inchi | InChI=1S/C2H2O4.Fe/c3-1(4)2(5)6;/h(H,3,4)(H,5,6);/q;+2/p-2 None | Legacy Database |
| cas-inchi-key | InChIKey=OWZIYWAUNZMLRT-UHFFFAOYSA-L None | Legacy Database |
| cas-name | Ferrous oxalate None | Legacy Database |
| wikipedia-name | Iron(II) oxalate None | Legacy Database |
| LogP | -3.5163 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 143.863 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 143.91459598 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 7 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 4 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 80.25999999999999 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 10.014 | RDKit |
