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Copper(I) Acetylide
CAS: 1117-94-8 | C2Cu2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1117-94-8
Molecular Formula:
C2Cu2
Molecular Weight:
151.114 g/mol
Names and Synonyms:
Copper(I) Acetylide
Copper acetylide (Cu2C2)
Ethyne, dicopper(1+) deriv.
Copper acetylene
Copper acetylide (Cu2(C2))
Identifiers:
SMILES:
[C+]#[C-].[Cu].[Cu]
InChI:
InChI=1S/C2.2Cu/c1-2;;
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
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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.
All Properties
Comprehensive physical and chemical properties
| Category | Property | Value | Source |
|---|---|---|---|
| Molecular | Molecular Weight | 151.114 g/mol | RDKit |
| Exact | Exact Molecular Weight | 149.859195 g/mol | RDKit |
| Heavy | Heavy Atom Count | 4 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 0 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit | |
| Rotatable | Rotatable Bonds | 0 count | RDKit |
| Aromatic | Aromatic Ring Count | 0 count | RDKit |
| Topological | Topological Polar Surface Area | 0.0 Ų | RDKit |
| Physical Properties | LogP | 0.15758 | RDKit |
| molecular_mass | 151.11 g/mol | Legacy Database | |
| wikipedia_url | https://en.wikipedia.org/wiki/Copper(I)_acetylide | Legacy Database | |
| cas-canonical-smile | [Cu]C#C[Cu] | Legacy Database | |
| cas-inchi | InChI=1S/C2.2Cu/c1-2;; | Legacy Database | |
| cas-inchi-key | InChIKey=BODLUWBESNOTCB-UHFFFAOYSA-N | Legacy Database | |
| cas-name | Copper acetylide (Cu2(C2)) | Legacy Database | |
| wikipedia-name | Copper(I) acetylide | Legacy Database | |
| Molar | Molar Refractivity | 6.486 | RDKit |
