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Molecule
Methylarsonic Acid
CAS: 124-58-3 · CH5AsO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 124-58-3
- Molecular Formula
- CH5AsO3
- Molecular Mass
- 139.97 g/mol
Identifiers
CAS Registry Number
124-58-3
SMILES
C[As](=O)(O)O
InChI Key
QYPPRTNMGCREIM-UHFFFAOYSA-N
InChI
InChI=1S/CH5AsO3/c1-2(3,4)5/h1H3,(H2,3,4,5)
Names and Synonyms
- Methylarsonic Acid Common Name
- Arsonic acid, methyl- Synonym
- Methanearsonic acid Synonym
- Methylarsonic acid Synonym
- MAA Synonym
- Monomethylarsonic acid Synonym
- NSC 71150 Synonym
- NSC 71151 Synonym
- NSC 71153 Synonym
- NSC 71154 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 139.97 g/mol | CAS Common Chemistry |
| Wikipedia Url | https://en.wikipedia.org/wiki/Methylarsonic_acid | CAS Common Chemistry |
| Canonical SMILES | O=[As](O)(O)C | CAS Common Chemistry |
| InChI | InChI=1S/CH5AsO3/c1-2(3,4)5/h1H3,(H2,3,4,5) | CAS Common Chemistry |
| InChI Key | InChIKey=QYPPRTNMGCREIM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 160.5 °C | CAS Common Chemistry |
| Name | Methylarsonic acid | CAS Common Chemistry |
| Heavy Atom Count | 5 | 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 | -1.0298 | RDKit |
| Molar Refractivity | 16.7421 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 139.94546552 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
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5
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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 = 139.97 g/mol. Edit any field — others recompute live.
