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Molecule
Arsenic Acid (H3Aso4), Diammonium Salt
CAS: 7784-44-3 · H9AsN2O4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 7784-44-3
- Molecular Formula
- H9AsN2O4
- Molecular Mass
- 176.00 g/mol
Identifiers
CAS Registry Number
7784-44-3
SMILES
N.N.O=[As](O)(O)O
InChI Key
XPVHUBFHKQQSDA-UHFFFAOYSA-N
InChI
InChI=1S/AsH3O4.2H3N/c2-1(3,4)5;;/h(H3,2,3,4,5);2*1H3
Names and Synonyms
- Arsenic Acid (H3Aso4), Diammonium Salt Systematic Name
- Arsenic acid (H3AsO4), diammonium salt Synonym
- Ammonium arsenate ((NH4)2AsHO4) Synonym
- Ammonium acid arsenate Synonym
- Diammonium arsenate Synonym
- Dibasic ammonium arsenate Synonym
- Secondary ammonium arsenate Synonym
- Diammonium hydrogen arsenate Synonym
- Diammonium monohydrogen arsenate Synonym
- Ammonium arsenate ((NH4)2HAsO4) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 176.00 g/mol | CAS Common Chemistry |
| 176.00400000000002 g/mol | RDKit | |
| 176.004 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 |
| -1.8466 | RDKit | |
| Molar Refractivity | 23.141100000000005 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 175.977828268 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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.
External Resources
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MW = 176.00 g/mol. Edit any field — others recompute live.
