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Molecule
Cacodylic Acid
CAS: 75-60-5 · C2H7AsO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 75-60-5
- Molecular Formula
- C2H7AsO2
- Molecular Mass
- 138.00 g/mol
Identifiers
CAS Registry Number
75-60-5
SMILES
C[As](C)(=O)O
InChI Key
OGGXGZAMXPVRFZ-UHFFFAOYSA-N
InChI
InChI=1S/C2H7AsO2/c1-3(2,4)5/h1-2H3,(H,4,5)
Names and Synonyms
- Cacodylic Acid Common Name
- Arsinic acid, As,As-dimethyl- Synonym
- Cacodylic acid Synonym
- Arsine oxide, hydroxydimethyl- Synonym
- Arsinic acid, dimethyl- Synonym
- As,As-Dimethylarsinic acid Synonym
- Ansar 138 Synonym
- Arsan Synonym
- Dimethylarsinic acid Synonym
- Hydroxydimethylarsine oxide Synonym
- Silvisar 510 Synonym
- Dimethylarsenic acid Synonym
- Sylvicor Synonym
- Phytar Synonym
- NSC 103115 Synonym
- NSC 71157 Synonym
- NSC 71158 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 138.00 g/mol | CAS Common Chemistry |
| 137.998 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 |
| 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 |
| 0.111 | RDKit | |
| Molar Refractivity | 20.387299999999996 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 137.966200964 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 138.00 g/mol. Edit any field — others recompute live.
