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Molecule
Manganese(Ii) Acetylacetonate
CAS: 14024-58-9 · C10H14MnO4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 14024-58-9
- Molecular Formula
- C10H14MnO4
- Molecular Mass
- 253.16 g/mol
Identifiers
CAS Registry Number
14024-58-9
SMILES
CC(=O)[CH-]C(C)=O.CC(=O)[CH-]C(C)=O.[Mn+2]
InChI Key
ZPLKMCLEIAEJIG-UHFFFAOYSA-N
InChI
InChI=1S/2C5H7O2.Mn/c2*1-4(6)3-5(2)7;/h2*3H,1-2H3;/q2*-1;+2
Names and Synonyms
- Manganese(Ii) Acetylacetonate Synonym
- Manganese, bis(2,4-pentanedionato-κO2,κO4)- Synonym
- Manganese, bis(2,4-pentanedionato)- Synonym
- Manganese, bis(2,4-pentanedionato-O,O′)- Synonym
- Manganese, bis(2,4-pentanedionato-κO,κO′)- Synonym
- Bis(2,4-pentanedionato-κO2,κO4)manganese Synonym
- Manganous acetylacetonate Synonym
- Manganese(II) acetylacetonate Synonym
- Manganese bis(acetylacetonate) Synonym
- Acetylacetone manganese(II) Synonym
- Bis(2,4-pentanedionato)manganese Synonym
- Bis(acetylacetone)manganese Synonym
- Manganese(2+) acetylacetonate Synonym
- Bis(acetylacetonato)manganese(II) Synonym
- Manganese bis(2,4-pentanedionate) Synonym
- Manganese(II) bis(acetylacetonate) Synonym
- Bis(acetylacetonato)manganese Synonym
- Manganese diacetylacetonate Synonym
- NSC 177707 Synonym
- NSC 4656 Synonym
- NSC 52334 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 253.16 g/mol | CAS Common Chemistry |
| 253.156 g/mol | RDKit | |
| 257.188 g/mol | chempirical lib | |
| Canonical SMILES | O1=C([CH-]C(=O[Mn+2]12O=C([CH-]C(=O2)C)C)C)C | CAS Common Chemistry |
| InChI | InChI=1S/2C5H7O2.Mn/c2*1-4(6)3-5(2)7;/h2*3H,1-2H3;/q2*-1;+2 | CAS Common Chemistry |
| InChI Key | InChIKey=ZPLKMCLEIAEJIG-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Manganese(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 | 253.02725402800002 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 = 253.16 g/mol. Edit any field — others recompute live.
