Back to Search
Molecule
Copper(Ii) Acetylacetonate
CAS: 13395-16-9 · C10H14CuO4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 13395-16-9
- Molecular Formula
- C10H14CuO4
- Molecular Mass
- 261.76 g/mol
Identifiers
CAS Registry Number
13395-16-9
SMILES
CC(=O)[CH-]C(C)=O.CC(=O)[CH-]C(C)=O.[Cu+2]
InChI Key
KMOVDRADWUSGIH-UHFFFAOYSA-N
InChI
InChI=1S/2C5H7O2.Cu/c2*1-4(6)3-5(2)7;/h2*3H,1-2H3;/q2*-1;+2
Names and Synonyms
- Copper(Ii) Acetylacetonate Synonym
- Copper, bis(2,4-pentanedionato-κO2,κO4)-, (SP-4-1)- Synonym
- Copper, bis(2,4-pentanedionato)- Synonym
- Copper, bis(2,4-pentanedionato-O,O′)-, (SP-4-1)- Synonym
- Copper, bis(2,4-pentanedionato-κO,κO′)-, (SP-4-1)- Synonym
- (SP-4-1)-Bis(2,4-pentanedionato-κO2,κO4)copper Synonym
- Copper(II) acetylacetonate Synonym
- Copper bis(acetylacetonate) Synonym
- Bis(2,4-pentanedionato)copper Synonym
- Copper bis(acetylacetone) Synonym
- Copper diacetylacetonate Synonym
- Cupric acetylacetonate Synonym
- Bis(acetylacetonato)copper Synonym
- Bis(acetylacetone)copper Synonym
- Copper bis(2,4-pentanedionate) Synonym
- CD 9 Synonym
- Cupric bis(2,4-pentanedionate) Synonym
- Nacem Copper Synonym
- Copper(2+) bis(acetylacetonate) Synonym
- Copper(II) bis(2,4-pentanedionate) Synonym
- Copper acetylacetonate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 261.76 g/mol | CAS Common Chemistry |
| 261.764 g/mol | RDKit | |
| 264.788 g/mol | chempirical lib | |
| Density | 0.72 g/cm³ | CAS Common Chemistry |
| 0.721 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Copper(II)_acetylacetonate | CAS Common Chemistry |
| Canonical SMILES | O1=C([CH-]C(=O[Cu+2]12O=C([CH-]C(=O2)C)C)C)C | CAS Common Chemistry |
| InChI | InChI=1S/2C5H7O2.Cu/c2*1-4(6)3-5(2)7;/h2*3H,1-2H3;/q2*-1;+2 | CAS Common Chemistry |
| InChI Key | InChIKey=KMOVDRADWUSGIH-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 279-283 °C | CAS Common Chemistry |
| Name | Copper(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 | 261.018806428 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 261.76 g/mol; density = 0.720 g/mL. Edit any field — others recompute live.
