Back to Search
Arsenic Acid (H3Aso4), Diammonium Salt
CAS: 7784-44-3 | H9AsN2O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7784-44-3
Molecular Formula:
H9AsN2O4
Molecular Mass:
176.00 g/mol
Names and Synonyms:
Arsenic Acid (H3Aso4), Diammonium Salt
Arsenic acid (H3AsO4), diammonium salt
Ammonium arsenate ((NH4)2AsHO4)
Ammonium acid arsenate
Diammonium arsenate
Dibasic ammonium arsenate
Secondary ammonium arsenate
Diammonium hydrogen arsenate
Diammonium monohydrogen arsenate
Ammonium arsenate ((NH4)2HAsO4)
Identifiers:
SMILES:
N.N.O=[As](O)(O)O
InChI:
InChI=1S/AsH3O4.2H3N/c2-1(3,4)5;;/h(H3,2,3,4,5);2*1H3
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 | 176.00 g/mol | CAS Common Chemistry |
| 176.00400000000002 g/mol | RDKit | |
| 175.977828268 g/mol | RDKit | |
| Canonical SMILES | O=[As](O)(O)O.N | CAS Common Chemistry |
| InChI | InChI=1S/AsH3O4.2H3N/c2-1(3,4)5;;/h(H3,2,3,4,5);2*1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=XPVHUBFHKQQSDA-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Arsenic acid (H3AsO4), diammonium salt | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 5 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 147.76 Ų | RDKit |
| LogP | -1.8466000000000005 | RDKit |
| Molar Refractivity | 23.141100000000005 | RDKit |
