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Molecule
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
Identifiers
CAS Registry Number
563-71-3
SMILES
O=C(O)O.[Fe]
InChI Key
JDEGMUDWFRGZDH-UHFFFAOYSA-N
InChI
InChI=1S/CH2O3.Fe/c2-1(3)4;/h(H2,2,3,4);
Names and Synonyms
- Iron(Ii) Carbonate Synonym
- Carbonic acid, iron(2+) salt (1:1) Synonym
- Ferrous carbonate Synonym
- Iron(II) carbonate Synonym
- Iron(2+) carbonate Synonym
- Iron carbonate (FeCO3) Synonym
- Ferrous monocarbonate Synonym
- Ferronil Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 117.87 g/mol | CAS Common Chemistry |
| 117.935331424 g/mol | RDKit | |
| 117.869 g/mol | RDKit | |
| 119.885 g/mol | chempirical lib | |
| 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 |
| 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 |
| 0.2199 | RDKit | |
| Molar Refractivity | 10.6536 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 117.869 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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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.
External Resources
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MW = 117.87 g/mol; density = 3.800 g/mL. Edit any field — others recompute live.
