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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 Mass:
143.86 g/mol
Names and Synonyms:
Iron(Ii) Oxalate
Iron, [ethanedioato(2-)-κO1,κO2]-
Oxalic acid, iron(2+) salt (1:1)
Iron, [ethanedioato(2-)-O,O′]-
[Ethanedioato(2-)-κO1,κO2]iron
Ferrous oxalate
Ferrox
Iron protoxalate
Iron(2+) oxalate
Iron(II) oxalate
Ferrous oxalate (1:1)
Iron oxalate
Oxalic acid, iron(2+) salt
Ferrous oxalate (Fe(C2O4))
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 143.86 g/mol | CAS Common Chemistry |
| 143.863 g/mol | RDKit | |
| 143.91459598 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Iron(II)_oxalate | CAS Common Chemistry |
| Canonical SMILES | O=C1O[Fe]OC1=O | CAS Common Chemistry |
| InChI | InChI=1S/C2H2O4.Fe/c3-1(4)2(5)6;/h(H,3,4)(H,5,6);/q;+2/p-2 | CAS Common Chemistry |
| InChI Key | InChIKey=OWZIYWAUNZMLRT-UHFFFAOYSA-L | CAS Common Chemistry |
| Name | Ferrous oxalate | CAS Common Chemistry |
| Iron(II) oxalate | CAS Common Chemistry | |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 80.25999999999999 Ų | RDKit |
| LogP | -3.5163 | RDKit |
| Molar Refractivity | 10.014 | RDKit |
