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Molecule
Calcium Arsenate
CAS: 7778-44-1 · H3AsCaO4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 7778-44-1
- Molecular Formula
- H3AsCaO4
- Molecular Mass
- 182.02 g/mol
Identifiers
CAS Registry Number
7778-44-1
SMILES
O=[As](O)(O)O.[Ca]
InChI Key
GYYLHZUIHDISBV-UHFFFAOYSA-N
InChI
InChI=1S/AsH3O4.Ca/c2-1(3,4)5;/h(H3,2,3,4,5);
Names and Synonyms
- Calcium Arsenate Common Name
- Arsenic acid (H3AsO4), calcium salt (2:3) Synonym
- Calcium arsenate (Ca3(AsO4)2) Synonym
- Chip-Cal Granular Synonym
- Cucumber dust Synonym
- Pencal Synonym
- Spra-cal Synonym
- Tricalcium arsenate Synonym
- Calcium arsenate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 182.02 g/mol | CAS Common Chemistry |
| 182.01999999999998 g/mol | RDKit | |
| 184.036 g/mol | chempirical lib | |
| Density | 3.62 g/cm³ | CAS Common Chemistry |
| 3.620 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Calcium_arsenate | CAS Common Chemistry |
| Canonical SMILES | [Ca].O=[As](O)(O)O | CAS Common Chemistry |
| InChI | InChI=1S/AsH3O4.Ca/c2-1(3,4)5;/h(H3,2,3,4,5); | CAS Common Chemistry |
| InChI Key | InChIKey=GYYLHZUIHDISBV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 1455 °C | CAS Common Chemistry |
| Name | Calcium arsenate | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 77.76 Ų | RDKit |
| LogP | -2.5514 | RDKit |
| Molar Refractivity | 18.8509 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 181.887321056 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 182.02 g/mol; density = 3.620 g/mL. Edit any field — others recompute live.
