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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 Mass:
138.00 g/mol
Names and Synonyms:
Cacodylic Acid
Arsinic acid, As,As-dimethyl-
Cacodylic acid
Arsine oxide, hydroxydimethyl-
Arsinic acid, dimethyl-
As,As-Dimethylarsinic acid
Ansar 138
Arsan
Dimethylarsinic acid
Hydroxydimethylarsine oxide
Silvisar 510
Dimethylarsenic acid
Sylvicor
Phytar
NSC 103115
NSC 71157
NSC 71158
Identifiers:
SMILES:
C[As](C)(=O)O
InChI:
InChI=1S/C2H7AsO2/c1-3(2,4)5/h1-2H3,(H,4,5)
Key Properties
Boiling Point
>200 °C
CAS Common Chemistry
Melting Point
195 °C
CAS Common Chemistry
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 | 138.00 g/mol | CAS Common Chemistry |
| 137.998 g/mol | RDKit | |
| 137.966200964 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Cacodylic_acid | CAS Common Chemistry |
| Boiling Point | >200 °C | CAS Common Chemistry |
| Canonical SMILES | O=[As](O)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C2H7AsO2/c1-3(2,4)5/h1-2H3,(H,4,5) | CAS Common Chemistry |
| InChI Key | InChIKey=OGGXGZAMXPVRFZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 195 °C | CAS Common Chemistry |
| Name | Dimethylarsinic acid | CAS Common Chemistry |
| Cacodylic acid | CAS Common Chemistry | |
| Heavy Atom Count | 5 | 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 | 0.11099999999999993 | RDKit |
| Molar Refractivity | 20.387299999999996 | RDKit |
