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Molecule
Bis(Acetylacetonato)Iron(Ii)
CAS: 14024-17-0 · C10H14FeO4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 14024-17-0
- Molecular Formula
- C10H14FeO4
- Molecular Mass
- 254.06 g/mol
Identifiers
CAS Registry Number
14024-17-0
SMILES
CC(=O)[CH-]C(C)=O.CC(=O)[CH-]C(C)=O.[Fe+2]
InChI Key
RHWPZTKRQCOCKR-UHFFFAOYSA-N
InChI
InChI=1S/2C5H7O2.Fe/c2*1-4(6)3-5(2)7;/h2*3H,1-2H3;/q2*-1;+2
Names and Synonyms
- Bis(Acetylacetonato)Iron(Ii) Synonym
- Iron, bis(2,4-pentanedionato-κO,κO′)- Synonym
- Iron, bis(2,4-pentanedionato)- Synonym
- Iron, bis(2,4-pentanedionato-O,O′)- Synonym
- Ferrous acetylacetonate Synonym
- Iron acetylacetonate Synonym
- Iron(II) acetylacetonate Synonym
- Iron bis(acetylacetonate) Synonym
- Bis(acetylacetonato)iron Synonym
- Bis(2,4-pentanedionato)iron Synonym
- Bis(acetylacetonate)iron Synonym
- NSC 141152 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 254.06 g/mol | CAS Common Chemistry |
| 254.063 g/mol | RDKit | |
| 258.095 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Bis(acetylacetonato)iron(II) | CAS Common Chemistry |
| Canonical SMILES | O1=C([CH-]C(=O[Fe+2]12O=C([CH-]C(=O2)C)C)C)C | CAS Common Chemistry |
| InChI | InChI=1S/2C5H7O2.Fe/c2*1-4(6)3-5(2)7;/h2*3H,1-2H3;/q2*-1;+2 | CAS Common Chemistry |
| InChI Key | InChIKey=RHWPZTKRQCOCKR-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Iron(II) acetylacetonate | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 68.28 Ų | RDKit |
| LogP | 0.73488 | RDKit |
| 0.7349 | RDKit | |
| Molar Refractivity | 51.32400000000003 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4 | RDKit |
| Exact Mass | 254.024146428 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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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 = 254.06 g/mol. Edit any field — others recompute live.
