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Molecule
Calcium Iodate
CAS: 7789-80-2 · HCaIO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 7789-80-2
- Molecular Formula
- HCaIO3
- Molecular Mass
- 215.99 g/mol
Identifiers
CAS Registry Number
7789-80-2
SMILES
[Ca].[O-][I+2]([O-])O
InChI Key
ZEFMCJAPWXIOMX-UHFFFAOYSA-N
InChI
InChI=1S/Ca.HIO3/c;2-1(3)4/h;(H,2,3,4)
Names and Synonyms
- Calcium Iodate Common Name
- Iodic acid (HIO3), calcium salt (2:1) Synonym
- Calcium iodate (Ca(IO3)2) Synonym
- Iodic acid (HIO3), calcium salt Synonym
- Iodic acid, calcium salt Synonym
- Calcium iodate Synonym
- Laurarite Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 215.99 g/mol | CAS Common Chemistry |
| 215.987 g/mol | RDKit | |
| 218.003 g/mol | chempirical lib | |
| Density | 4.52 g/cm³ | CAS Common Chemistry |
| 4.519 g/cm3 @ 15 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Calcium_iodate | CAS Common Chemistry |
| Canonical SMILES | [Ca].O=I(=O)O | CAS Common Chemistry |
| InChI | InChI=1S/Ca.HIO3/c;2-1(3)4/h;(H,2,3,4) | CAS Common Chemistry |
| InChI Key | InChIKey=ZEFMCJAPWXIOMX-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 540 °C (decomp) | CAS Common Chemistry |
| Name | Calcium iodate | CAS Common Chemistry |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 66.35 Ų | RDKit |
| LogP | -6.3118 | RDKit |
| Molar Refractivity | 7.972799999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 215.859632872 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
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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 = 215.99 g/mol; density = 4.520 g/mL. Edit any field — others recompute live.
