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Molecule
Iron(Ii) Fumarate
CAS: 141-01-5 · C4H4FeO4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 141-01-5
- Molecular Formula
- C4H4FeO4
- Molecular Mass
- 171.92 g/mol
Identifiers
CAS Registry Number
141-01-5
SMILES
O=C(O)/C=C/C(=O)O.[Fe]
InChI Key
OOPLWEDSEDELIX-TYYBGVCCSA-N
InChI
InChI=1S/C4H4O4.Fe/c5-3(6)1-2-4(7)8;/h1-2H,(H,5,6)(H,7,8);/b2-1+;
Names and Synonyms
- Iron(Ii) Fumarate Common Name
- Hemoton Synonym
- 2-Butenedioic acid (2E)-, iron(2+) salt (1:1) Synonym
- Fumaric acid, iron(2+) salt (1:1) Synonym
- 2-Butenedioic acid (E)-, iron(2+) salt (1:1) Synonym
- Iron fumarate (Fe(O4C4H2)) Synonym
- Cpiron Synonym
- Fersamal Synonym
- Firon Synonym
- Fumar F Synonym
- Fumiron Synonym
- Toleron Synonym
- Iron fumarate (Fe(C4H2O4)) Synonym
- Ferrous fumarate Synonym
- Erco-Fer Synonym
- Feostat Synonym
- Feroton Synonym
- Ferrofume Synonym
- Ferronat Synonym
- Ferrotemp Synonym
- Ferrone Synonym
- Fumafer Synonym
- Ircon Synonym
- One-Iron Synonym
- Palafer Synonym
- Tolferain Synonym
- Tolifer Synonym
- Ercoferro Synonym
- Iron fumarate Synonym
- Orgasal Synonym
- Ferrum Synonym
- Meterfer Synonym
- Galfer Synonym
- Fresamal Synonym
- Heferol Synonym
- Fepstat Synonym
- Iron(II) fumarate Synonym
- Fumacure Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 171.92 g/mol | CAS Common Chemistry |
| 171.945896108 g/mol | RDKit | |
| 171.917 g/mol | RDKit | |
| 173.933 g/mol | chempirical lib | |
| Density | 2.44 g/cm³ | CAS Common Chemistry |
| 2.435 g/cm3 @ 25 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Iron(II)_fumarate | CAS Common Chemistry |
| Canonical SMILES | [Fe].O=C(O)C=CC(=O)O | CAS Common Chemistry |
| InChI | InChI=1S/C4H4O4.Fe/c5-3(6)1-2-4(7)8;/h1-2H,(H,5,6)(H,7,8);/b2-1+; | CAS Common Chemistry |
| InChI Key | InChIKey=OOPLWEDSEDELIX-TYYBGVCCSA-N | CAS Common Chemistry |
| Melting Point | >280 °C | CAS Common Chemistry |
| Name | Ferrous fumarate | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 74.6 Ų | RDKit |
| LogP | -0.2906999999999998 | RDKit |
| -0.2907 | RDKit | |
| Molar Refractivity | 24.411599999999993 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 171.91699999999997 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
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MW = 171.92 g/mol; density = 2.440 g/mL. Edit any field — others recompute live.
