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Monosodium Methyl Arsonate
CAS: 2163-80-6 | CH5AsNaO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2163-80-6
Molecular Formula:
CH5AsNaO3
Molecular Mass:
162.96 g/mol
Names and Synonyms:
Monosodium Methyl Arsonate
Arsonic acid, methyl-, monosodium salt
Methanearsonic acid, monosodium salt
Ansar 529
Ansar 170
Ansar 170L
Monosodium acid methanearsonate
Monosodium acid metharsonate
Monosodium methanearsonate
Monosodium methylarsonate
MSMA
Daconate
Sodium acid methanearsonate
Weed 108
Gepiron
Bueno 6
Identifiers:
SMILES:
C[As](=O)(O)O.[Na]
InChI:
InChI=1S/CH5AsO3.Na/c1-2(3,4)5;/h1H3,(H2,3,4,5);
Key Properties
Melting Point
130-140 °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 | 162.96 g/mol | CAS Common Chemistry |
| 162.9352348 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Monosodium_methyl_arsonate | CAS Common Chemistry |
| Name | Monosodium methanearsonate | CAS Common Chemistry |
| Monosodium methyl arsonate | CAS Common Chemistry | |
| Canonical SMILES | [Na].O=[As](O)(O)C | CAS Common Chemistry |
| InChI | InChI=1S/CH5AsO3.Na/c1-2(3,4)5;/h1H3,(H2,3,4,5); | CAS Common Chemistry |
| InChI Key | InChIKey=SIZGZEGQPAOWBL-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 130-140 °C | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 57.53 Ų | RDKit |
| LogP | -1.4106000000000003 | RDKit |
| Molar Refractivity | 22.496099999999995 | RDKit |
