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Cacodylic Acid
CAS: 75-60-5 | C2H7AsO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
75-60-5
Molecular Formula:
C2H7AsO2
Molecular Weight:
137.998 g/mol
Names and Synonyms:
Cacodylic Acid
NSC 71158
NSC 71157
NSC 103115
Phytar
Sylvicor
Dimethylarsenic acid
Silvisar 510
Hydroxydimethylarsine oxide
Dimethylarsinic acid
Arsan
Ansar 138
As,As-Dimethylarsinic acid
Arsinic acid, dimethyl-
Arsine oxide, hydroxydimethyl-
Cacodylic acid
Arsinic acid, As,As-dimethyl-
Identifiers:
SMILES:
C[As](C)(=O)O
InChI:
InChI=1S/C2H7AsO2/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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 138.00 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Cacodylic_acid None | Legacy Database |
| cas-boiling-point | >200 °C None | Legacy Database |
| cas-canonical-smile | O=[As](O)(C)C None | Legacy Database |
| cas-inchi | InChI=1S/C2H7AsO2/c1-3(2,4)5/h1-2H3,(H,4,5) None | Legacy Database |
| cas-inchi-key | InChIKey=OGGXGZAMXPVRFZ-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 195 °C None | Legacy Database |
| cas-name | Dimethylarsinic acid None | Legacy Database |
| wikipedia-name | Cacodylic acid None | Legacy Database |
| LogP | 0.11099999999999993 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 137.998 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 137.966200964 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 5 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 37.3 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 20.387299999999996 | RDKit |
