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Ferrous Oxalate Dihydrate
CAS: 6047-25-2 | C2H4FeO6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
6047-25-2
Molecular Formula:
C2H4FeO6
Molecular Mass:
179.89 g/mol
Names and Synonyms:
Ferrous Oxalate Dihydrate
Iron, diaqua[ethanedioato(2-)-κO1,κO2]-, (T-4)-
Oxalic acid, iron(2+) salt (1:1), dihydrate
Iron, diaqua[ethanedioato(2-)-O,O′]-
(T-4)-Diaqua[ethanedioato(2-)-κO1,κO2]iron
Ferrous oxalate dihydrate
Ethanedioic acid, iron(2+) salt (1:1), dihydrate
Ferrous oxalate (FeC2O4) dihydrate
Iron oxalate hydrate (FeC2O4.2H2O)
Iron oxalate (FeC2O4) dihydrate
Iron(2+) oxalate dihydrate
Identifiers:
SMILES:
O.O.O=C([O-])C(=O)[O-].[Fe+2]
InChI:
InChI=1S/C2H2O4.Fe.2H2O/c3-1(4)2(5)6;;;/h(H,3,4)(H,5,6);;2*1H2/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 | 179.89 g/mol | CAS Common Chemistry |
| 179.89299999999997 g/mol | RDKit | |
| 179.935725348 g/mol | RDKit | |
| Canonical SMILES | O=C1[O-][Fe+2]([O-]C1=O)([OH2])[OH2] | CAS Common Chemistry |
| InChI | InChI=1S/C2H2O4.Fe.2H2O/c3-1(4)2(5)6;;;/h(H,3,4)(H,5,6);;2*1H2/q;+2;;/p-2 | CAS Common Chemistry |
| InChI Key | InChIKey=NPLZZSLZTJVZSX-UHFFFAOYSA-L | CAS Common Chemistry |
| Name | Ferrous oxalate dihydrate | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 143.26 Ų | RDKit |
| LogP | -5.165699999999999 | RDKit |
| Molar Refractivity | 17.2416 | RDKit |
