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Molecule
Copper Chromite
CAS: 12053-18-8 · CrCuO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 12053-18-8
- Molecular Formula
- CrCuO
- Molecular Mass
- 131.54 g/mol
Identifiers
CAS Registry Number
12053-18-8
SMILES
[Cr].[Cu].[O]
InChI Key
HFORGINKVIYNFC-UHFFFAOYSA-N
InChI
InChI=1S/Cr.Cu.O
Names and Synonyms
- Copper Chromite Synonym
- Chromium copper oxide (Cr2Cu2O5) Synonym
- Chromium copper oxide (Cu2Cr2O5) Synonym
- Copper chromate(III) (Cu2Cr2O5) Synonym
- Copper chromite Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 131.54 g/mol | CAS Common Chemistry |
| 131.541 g/mol | RDKit | |
| 136.581 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Copper_chromite | CAS Common Chemistry |
| Canonical SMILES | [O].[Cr].[Cu] | CAS Common Chemistry |
| InChI | InChI=1S/Cr.Cu.O | CAS Common Chemistry |
| InChI Key | InChIKey=HFORGINKVIYNFC-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Chromium copper oxide (Cr2Cu2O5) | CAS Common Chemistry |
| Heavy Atom Count | 3 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 28.5 Ų | RDKit |
| LogP | -0.12380000000000001 | RDKit |
| -0.1238 | RDKit | |
| Molar Refractivity | 0.6865 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 130.86501962 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
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140
120
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40
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 = 131.54 g/mol. Edit any field — others recompute live.
