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Molecule
Iron(Ii) Acetate
CAS: 3094-87-9 · C2H4FeO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 3094-87-9
- Molecular Formula
- C2H4FeO2
- Molecular Mass
- 115.90 g/mol
Identifiers
CAS Registry Number
3094-87-9
SMILES
CC(=O)O.[Fe]
InChI Key
NVVGMIRCFUVBOB-UHFFFAOYSA-N
InChI
InChI=1S/C2H4O2.Fe/c1-2(3)4;/h1H3,(H,3,4);
Names and Synonyms
- Iron(Ii) Acetate Synonym
- Acetic acid, iron(2+) salt (2:1) Synonym
- Acetic acid, iron(2+) salt Synonym
- Ferrous acetate Synonym
- Iron diacetate Synonym
- Iron(II) acetate Synonym
- Iron(2+) acetate Synonym
- Iron acetate [Fe(OAc)2] Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 115.90 g/mol | CAS Common Chemistry |
| 115.956066868 g/mol | RDKit | |
| 115.897 g/mol | RDKit | |
| 117.913 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Iron(II)_acetate | CAS Common Chemistry |
| Canonical SMILES | [Fe].O=C(O)C | CAS Common Chemistry |
| InChI | InChI=1S/C2H4O2.Fe/c1-2(3)4;/h1H3,(H,3,4); | CAS Common Chemistry |
| InChI Key | InChIKey=NVVGMIRCFUVBOB-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Ferrous acetate | CAS Common Chemistry |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 37.3 Ų | RDKit |
| LogP | 0.08839999999999998 | RDKit |
| 0.0884 | RDKit | |
| Molar Refractivity | 13.309800000000001 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 115.897 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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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 = 115.90 g/mol. Edit any field — others recompute live.
