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Molecule
Magnesium Acetylacetonate
CAS: 14024-56-7 · C10H14MgO4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 14024-56-7
- Molecular Formula
- C10H14MgO4
- Molecular Mass
- 222.52 g/mol
Identifiers
CAS Registry Number
14024-56-7
SMILES
CC(=O)[CH-]C(C)=O.CC(=O)[CH-]C(C)=O.[Mg+2]
InChI Key
QTNPNISUJKZVIS-UHFFFAOYSA-N
InChI
InChI=1S/2C5H7O2.Mg/c2*1-4(6)3-5(2)7;/h2*3H,1-2H3;/q2*-1;+2
Names and Synonyms
- Magnesium Acetylacetonate Synonym
- Magnesium, bis(2,4-pentanedionato-κO2,κO4)-, (T-4)- Synonym
- Magnesium, bis(2,4-pentanedionato)- Synonym
- Magnesium, bis(2,4-pentanedionato-O,O′)-, (T-4)- Synonym
- Magnesium, bis(2,4-pentanedionato-κO,κO′)-, (T-4)- Synonym
- (T-4)-Bis(2,4-pentanedionato-κO2,κO4)magnesium Synonym
- Magnesium acetylacetonate Synonym
- Magnesium bis(acetylacetonate) Synonym
- Bis(acetylacetonato)magnesium Synonym
- Bis(2,4-pentanedionato)magnesium Synonym
- Bis(acetylacetone)magnesium Synonym
- Nacem Magnesium Synonym
- NSC 4655 Synonym
- NSC 52332 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 222.52 g/mol | CAS Common Chemistry |
| 222.523 g/mol | RDKit | |
| 226.555 g/mol | chempirical lib | |
| Canonical SMILES | O1=C([CH-]C(=O[Mg+2]12O=C([CH-]C(=O2)C)C)C)C | CAS Common Chemistry |
| InChI | InChI=1S/2C5H7O2.Mg/c2*1-4(6)3-5(2)7;/h2*3H,1-2H3;/q2*-1;+2 | CAS Common Chemistry |
| InChI Key | InChIKey=QTNPNISUJKZVIS-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Magnesium 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 | 0.3565799999999999 | RDKit |
| 0.3566 | RDKit | |
| Molar Refractivity | 57.078000000000024 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4 | RDKit |
| Exact Mass | 222.07425062800002 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.
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MW = 222.52 g/mol. Edit any field — others recompute live.
