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Molecule
Monosodium Methyl Arsonate
CAS: 2163-80-6 · CH5AsNaO3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 2163-80-6
- Molecular Formula
- CH5AsNaO3
- Molecular Mass
- 162.96 g/mol
Identifiers
CAS Registry Number
2163-80-6
SMILES
C[As](=O)(O)O.[Na]
InChI Key
SIZGZEGQPAOWBL-UHFFFAOYSA-N
InChI
InChI=1S/CH5AsO3.Na/c1-2(3,4)5;/h1H3,(H2,3,4,5);
Names and Synonyms
- Monosodium Methyl Arsonate Synonym
- Arsonic acid, methyl-, monosodium salt Synonym
- Methanearsonic acid, monosodium salt Synonym
- Ansar 529 Synonym
- Ansar 170 Synonym
- Ansar 170L Synonym
- Monosodium acid methanearsonate Synonym
- Monosodium acid metharsonate Synonym
- Monosodium methanearsonate Synonym
- Monosodium methylarsonate Synonym
- MSMA Synonym
- Daconate Synonym
- Sodium acid methanearsonate Synonym
- Weed 108 Synonym
- Gepiron Synonym
- Bueno 6 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 162.96 g/mol | CAS Common Chemistry |
| 163.968 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Monosodium_methyl_arsonate | CAS Common Chemistry |
| Name | Monosodium methanearsonate | 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 |
| -1.4106 | RDKit | |
| Molar Refractivity | 22.496099999999995 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 162.9352348 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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140
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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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 = 162.96 g/mol. Edit any field — others recompute live.
