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Molecule
Sodium Cacodylate
CAS: 124-65-2 · C2H7AsNaO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 124-65-2
- Molecular Formula
- C2H7AsNaO2
- Molecular Mass
- 160.99 g/mol
Identifiers
CAS Registry Number
124-65-2
SMILES
C[As](C)(=O)O.[Na]
InChI Key
CZXGUGUKNDYHFE-UHFFFAOYSA-N
InChI
InChI=1S/C2H7AsO2.Na/c1-3(2,4)5;/h1-2H3,(H,4,5);
Names and Synonyms
- Sodium Cacodylate Common Name
- Arsinic acid, As,As-dimethyl-, sodium salt (1:1) Synonym
- Arsine oxide, hydroxydimethyl-, sodium salt Synonym
- Arsinic acid, dimethyl-, sodium salt Synonym
- Sodium, [(dimethylarsino)oxy]-, As-oxide Synonym
- Arsecodile Synonym
- Arsicodile Synonym
- Arsycodile Synonym
- Hydroxydimethylarsine oxide sodium salt Synonym
- Sodium cacodylate Synonym
- Cacodylic acid sodium salt Synonym
- Sodium dimethylarsinate Synonym
- Alkarsodyl Synonym
- Chemaid Synonym
- Cacodylic acid sodium salt (1:1) Synonym
- Cacodylate sodium Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 160.99 g/mol | CAS Common Chemistry |
| 160.988 g/mol | RDKit | |
| 161.996 g/mol | chempirical lib | |
| Canonical SMILES | [Na].O=[As](O)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C2H7AsO2.Na/c1-3(2,4)5;/h1-2H3,(H,4,5); | CAS Common Chemistry |
| InChI Key | InChIKey=CZXGUGUKNDYHFE-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 200 °C | CAS Common Chemistry |
| Name | Sodium cacodylate | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 37.3 Ų | RDKit |
| LogP | -0.2698000000000001 | RDKit |
| -0.2698 | RDKit | |
| Molar Refractivity | 26.14129999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 160.95597024399999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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5
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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 = 160.99 g/mol. Edit any field — others recompute live.
