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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 Mass:
151.11 g/mol
Names and Synonyms:
Copper(I) Acetylide
Copper acetylide (Cu2(C2))
Copper acetylene
Ethyne, dicopper(1+) deriv.
Copper acetylide (Cu2C2)
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
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 151.11 g/mol | CAS Common Chemistry |
| 151.114 g/mol | RDKit | |
| 149.859195 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Copper(I)_acetylide | CAS Common Chemistry |
| Canonical SMILES | [Cu]C#C[Cu] | CAS Common Chemistry |
| InChI | InChI=1S/C2.2Cu/c1-2;; | CAS Common Chemistry |
| InChI Key | InChIKey=BODLUWBESNOTCB-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Copper acetylide (Cu2(C2)) | CAS Common Chemistry |
| Copper(I) acetylide | CAS Common Chemistry | |
| Heavy Atom Count | 4 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 0.15758 | RDKit |
| Molar Refractivity | 6.486 | RDKit |
