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Molecule
Arsenous Acid, Calcium Salt (2:3)
CAS: 27152-57-4 · H3AsCaO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 27152-57-4
- Molecular Formula
- H3AsCaO3
- Molecular Mass
- 166.02 g/mol
Identifiers
CAS Registry Number
27152-57-4
SMILES
O[As](O)O.[Ca]
InChI Key
CENLSSOSINMTIU-UHFFFAOYSA-N
InChI
InChI=1S/AsH3O3.Ca/c2-1(3)4;/h2-4H;
Names and Synonyms
- Arsenous Acid, Calcium Salt (2:3) Systematic Name
- Arsenous acid, calcium salt (2:3) Synonym
- Arsenious acid (H3AsO3), calcium salt (2:3) Synonym
- Calcium arsenite (Ca3As2O6) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 166.02 g/mol | CAS Common Chemistry |
| 166.021 g/mol | RDKit | |
| 168.037 g/mol | chempirical lib | |
| Canonical SMILES | [Ca].O[As](O)O | CAS Common Chemistry |
| InChI | InChI=1S/AsH3O3.Ca/c2-1(3)4;/h2-4H; | CAS Common Chemistry |
| InChI Key | InChIKey=CENLSSOSINMTIU-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Arsenous acid, calcium salt (2:3) | CAS Common Chemistry |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 60.69 Ų | RDKit |
| LogP | -2.4326 | RDKit |
| Molar Refractivity | 18.1644 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 165.89240643600002 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 166.02 g/mol. Edit any field — others recompute live.
