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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
Names and Synonyms:
Methylarsonic Acid
Arsonic acid, methyl-
Methanearsonic acid
Methylarsonic acid
MAA
Monomethylarsonic acid
NSC 71150
NSC 71151
NSC 71153
NSC 71154
Identifiers:
SMILES:
C[As](=O)(O)O
InChI:
InChI=1S/CH5AsO3/c1-2(3,4)5/h1H3,(H2,3,4,5)
Key Properties
Melting Point
160.5 °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 | 139.97 g/mol | CAS Common Chemistry |
| 139.94546552 g/mol | RDKit | |
| 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 | RDKit |
