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Bis(Acetylacetonato)Iron(Ii)
CAS: 14024-17-0 | C10H14FeO4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
14024-17-0
Molecular Formula:
C10H14FeO4
Molecular Mass:
254.06 g/mol
Names and Synonyms:
Bis(Acetylacetonato)Iron(Ii)
Iron, bis(2,4-pentanedionato-κO,κO′)-
Iron, bis(2,4-pentanedionato)-
Iron, bis(2,4-pentanedionato-O,O′)-
Ferrous acetylacetonate
Iron acetylacetonate
Iron(II) acetylacetonate
Iron bis(acetylacetonate)
Bis(acetylacetonato)iron
Bis(2,4-pentanedionato)iron
Bis(acetylacetonate)iron
NSC 141152
Identifiers:
SMILES:
CC(=O)[CH-]C(C)=O.CC(=O)[CH-]C(C)=O.[Fe+2]
InChI:
InChI=1S/2C5H7O2.Fe/c2*1-4(6)3-5(2)7;/h2*3H,1-2H3;/q2*-1;+2
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 | 254.06 g/mol | CAS Common Chemistry |
| 254.063 g/mol | RDKit | |
| 254.024146428 g/mol | RDKit | |
| 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 |
| Bis(acetylacetonato)iron(II) | 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 |
| Molar Refractivity | 51.32400000000003 | RDKit |
