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Iron(Ii) Fumarate
CAS: 141-01-5 | C4H4FeO4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
141-01-5
Molecular Formula:
C4H4FeO4
Molecular Mass:
171.92 g/mol
Names and Synonyms:
Iron(Ii) Fumarate
Hemoton
2-Butenedioic acid (2E)-, iron(2+) salt (1:1)
Fumaric acid, iron(2+) salt (1:1)
2-Butenedioic acid (E)-, iron(2+) salt (1:1)
Iron fumarate (Fe(O4C4H2))
Cpiron
Fersamal
Firon
Fumar F
Fumiron
Toleron
Iron fumarate (Fe(C4H2O4))
Ferrous fumarate
Erco-Fer
Feostat
Feroton
Ferrofume
Ferronat
Ferrotemp
Ferrone
Fumafer
Ircon
One-Iron
Palafer
Tolferain
Tolifer
Ercoferro
Iron fumarate
Orgasal
Ferrum
Meterfer
Galfer
Fresamal
Heferol
Fepstat
Iron(II) fumarate
Fumacure
Identifiers:
SMILES:
O=C(O)/C=C/C(=O)O.[Fe]
InChI:
InChI=1S/C4H4O4.Fe/c5-3(6)1-2-4(7)8;/h1-2H,(H,5,6)(H,7,8);/b2-1+;
Key Properties
Melting Point
>280 °C
CAS Common Chemistry
Density
2.44 g/cm³
CAS Common Chemistry
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 | 171.92 g/mol | CAS Common Chemistry |
| 171.91699999999997 g/mol | RDKit | |
| 171.945896108 g/mol | RDKit | |
| Density | 2.44 g/cm³ | CAS Common Chemistry |
| 2.435 g/cm3 @ Temp: 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 |
| Iron(II) 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 |
| Molar Refractivity | 24.411599999999993 | RDKit |
