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Molecule
Sodium Acetylide (Na(C2H))
CAS: 1066-26-8 · C2HNa
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 1066-26-8
- Molecular Formula
- C2HNa
- Molecular Mass
- 48.02 g/mol
Identifiers
CAS Registry Number
1066-26-8
SMILES
[C]#C.[Na]
InChI Key
SLBNQJAGYKQCKI-UHFFFAOYSA-N
InChI
InChI=1S/C2H.Na/c1-2;/h1H;
Names and Synonyms
- Sodium Acetylide (Na(C2H)) Synonym
- Sodium acetylide (Na(C2H)) Synonym
- Sodium acetylide (Na(HC2)) Synonym
- Sodium acetylide Synonym
- Sodium carbide (Na(HC2)) Synonym
- Sodium, ethynyl- Synonym
- Monosodium acetylide Synonym
- Ethynyl sodium Synonym
- Sodium carbide (Na(C2H)) Synonym
- Sodium acetylenide Synonym
- Ethyne, sodium salt (1:1) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 48.02 g/mol | CAS Common Chemistry |
| 48.019999999999996 g/mol | RDKit | |
| 50.036 g/mol | chempirical lib | |
| Canonical SMILES | [Na]C#C | CAS Common Chemistry |
| InChI | InChI=1S/C2H.Na/c1-2;/h1H; | CAS Common Chemistry |
| InChI Key | InChIKey=SLBNQJAGYKQCKI-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Sodium acetylide (Na(C2H)) | 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 | 0.0 Ų | RDKit |
| LogP | -0.17481000000000002 | RDKit |
| -0.1748 | RDKit | |
| Molar Refractivity | 13.942 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 47.997594312000004 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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
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
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MW = 48.02 g/mol. Edit any field — others recompute live.
