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Molecule
Zinc Acetylacetonate
CAS: 14024-63-6 · C10H14O4Zn
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 14024-63-6
- Molecular Formula
- C10H14O4Zn
- Molecular Mass
- 263.61 g/mol
Identifiers
CAS Registry Number
14024-63-6
SMILES
CC(=O)[CH-]C(C)=O.CC(=O)[CH-]C(C)=O.[Zn+2]
InChI Key
NHXVNEDMKGDNPR-UHFFFAOYSA-N
InChI
InChI=1S/2C5H7O2.Zn/c2*1-4(6)3-5(2)7;/h2*3H,1-2H3;/q2*-1;+2
Names and Synonyms
- Zinc Acetylacetonate Synonym
- Zinc, bis(2,4-pentanedionato-κO2,κO4)-, (T-4)- Synonym
- Zinc, bis(2,4-pentanedionato)- Synonym
- Zinc, bis(2,4-pentanedionato-O,O′)-, (T-4)- Synonym
- Zinc, bis(2,4-pentanedionato-κO,κO′)-, (T-4)- Synonym
- (T-4)-Bis(2,4-pentanedionato-κO2,κO4)zinc Synonym
- Zinc acetylacetonate Synonym
- Zinc bis(acetylacetonate) Synonym
- Zinc bis(acetylacetone) Synonym
- Bis(2,4-pentanedionato)zinc Synonym
- Zinc acetoacetonate Synonym
- Bis(acetylacetonato)zinc Synonym
- Zinc acetylacetone chelate Synonym
- Zinc(II) acetylacetonate Synonym
- Zinc bis(2,4-pentanedionate) Synonym
- Zinc diacetoacetate Synonym
- Bis(pentanedionato)zinc Synonym
- Nacem Zinc Synonym
- NSC 18472 Synonym
- Aldrich 48,099-1 Synonym
- Tegokat 623 Synonym
- X 1301 Synonym
- Z 0002 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 263.61 g/mol | CAS Common Chemistry |
| 263.608 g/mol | RDKit | |
| 267.63 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Zinc_acetylacetonate | CAS Common Chemistry |
| Canonical SMILES | O1=C([CH-]C(=O[Zn+2]12O=C([CH-]C(=O2)C)C)C)C | CAS Common Chemistry |
| InChI | InChI=1S/2C5H7O2.Zn/c2*1-4(6)3-5(2)7;/h2*3H,1-2H3;/q2*-1;+2 | CAS Common Chemistry |
| InChI Key | InChIKey=NHXVNEDMKGDNPR-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 127 °C | CAS Common Chemistry |
| Name | Zinc 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 | 262.018351128 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
160
140
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20
0 ppm
| 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 = 263.61 g/mol. Edit any field — others recompute live.
