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Iron(Ii) Carbonate
CAS: 563-71-3 | CH2FeO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
563-71-3
Molecular Formula:
CH2FeO3
Molecular Mass:
117.87 g/mol
Names and Synonyms:
Iron(Ii) Carbonate
Carbonic acid, iron(2+) salt (1:1)
Ferrous carbonate
Iron(II) carbonate
Iron(2+) carbonate
Iron carbonate (FeCO3)
Ferrous monocarbonate
Ferronil
Identifiers:
SMILES:
O=C(O)O.[Fe]
InChI:
InChI=1S/CH2O3.Fe/c2-1(3)4;/h(H2,2,3,4);
Key Properties
Density
3.80 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 | 117.87 g/mol | CAS Common Chemistry |
| 117.869 g/mol | RDKit | |
| 117.935331424 g/mol | RDKit | |
| Density | 3.80 g/cm³ | CAS Common Chemistry |
| 3.8 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Iron(II)_carbonate | CAS Common Chemistry |
| Canonical SMILES | [Fe].O=C(O)O | CAS Common Chemistry |
| InChI | InChI=1S/CH2O3.Fe/c2-1(3)4;/h(H2,2,3,4); | CAS Common Chemistry |
| InChI Key | InChIKey=JDEGMUDWFRGZDH-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Ferrous carbonate | CAS Common Chemistry |
| Iron(II) carbonate | CAS Common Chemistry | |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 57.53 Ų | RDKit |
| LogP | 0.21989999999999998 | RDKit |
| Molar Refractivity | 10.6536 | RDKit |
