Back to Search
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 Weight:
139.97 g/mol
Names and Synonyms:
Methylarsonic Acid
NSC 71154
NSC 71153
NSC 71151
NSC 71150
Monomethylarsonic acid
MAA
Methylarsonic acid
Methanearsonic acid
Arsonic acid, methyl-
Identifiers:
SMILES:
C[As](=O)(O)O
InChI:
InChI=1S/CH5AsO3/c1-2(3,4)5/h1H3,(H2,3,4,5)
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 139.97 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Methylarsonic_acid None | Legacy Database |
| cas-canonical-smile | O=[As](O)(O)C None | Legacy Database |
| cas-inchi | InChI=1S/CH5AsO3/c1-2(3,4)5/h1H3,(H2,3,4,5) None | Legacy Database |
| cas-inchi-key | InChIKey=QYPPRTNMGCREIM-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 160.5 °C None | Legacy Database |
| cas-name | Methylarsonic acid None | Legacy Database |
| wikipedia-name | Methylarsonic acid None | Legacy Database |
| LogP | -1.0298 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 139.97 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 139.94546552 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 5 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 57.53 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 16.7421 | RDKit |
