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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 Weight:
160.988 g/mol
Names and Synonyms:
Sodium Cacodylate
Cacodylate sodium
Cacodylic acid sodium salt (1:1)
Chemaid
Alkarsodyl
Sodium dimethylarsinate
Cacodylic acid sodium salt
Sodium cacodylate
Hydroxydimethylarsine oxide sodium salt
Arsycodile
Arsicodile
Arsecodile
Sodium, [(dimethylarsino)oxy]-, As-oxide
Arsinic acid, dimethyl-, sodium salt
Arsine oxide, hydroxydimethyl-, sodium salt
Arsinic acid, As,As-dimethyl-, sodium salt (1:1)
Identifiers:
SMILES:
C[As](C)(=O)O.[Na]
InChI:
InChI=1S/C2H7AsO2.Na/c1-3(2,4)5;/h1-2H3,(H,4,5);
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
| Category | Property | Value | Source |
|---|---|---|---|
| Molecular | Molecular Weight | 160.988 g/mol | RDKit |
| Exact | Exact Molecular Weight | 160.95597024399999 g/mol | RDKit |
| Heavy | Heavy Atom Count | 6 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit | |
| Rotatable | Rotatable Bonds | 0 count | RDKit |
| Aromatic | Aromatic Ring Count | 0 count | RDKit |
| Topological | Topological Polar Surface Area | 37.3 Ų | RDKit |
| Physical Properties | LogP | -0.2698000000000001 | RDKit |
| molecular_mass | 160.99 g/mol | Legacy Database | |
| cas-canonical-smile | [Na].O=[As](O)(C)C | Legacy Database | |
| cas-inchi | InChI=1S/C2H7AsO2.Na/c1-3(2,4)5;/h1-2H3,(H,4,5); | Legacy Database | |
| cas-inchi-key | InChIKey=CZXGUGUKNDYHFE-UHFFFAOYSA-N | Legacy Database | |
| cas-melting-point | 200 °C | Legacy Database | |
| cas-name | Sodium cacodylate | Legacy Database | |
| Molar | Molar Refractivity | 26.14129999999999 | RDKit |
