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Calcium Chlorate
CAS: 10137-74-3 | HCaClO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
10137-74-3
Molecular Formula:
HCaClO3
Molecular Weight:
124.53599999999999 g/mol
Names and Synonyms:
Calcium Chlorate
Chloric acid, calcium salt (2:1)
Chloric acid, calcium salt
Calcium chlorate (Ca(ClO3)2)
Calcium chlorate
Identifiers:
SMILES:
[Ca].[O-][Cl+2]([O-])O
InChI:
InChI=1S/Ca.ClHO3/c;2-1(3)4/h;(H,2,3,4)
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 124.54 g/mol | Legacy Database |
| density | 2.71 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Calcium_chlorate None | Legacy Database |
| cas-canonical-smile | [Ca].O=Cl(=O)O None | Legacy Database |
| cas-density | 2.71 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/Ca.ClHO3/c;2-1(3)4/h;(H,2,3,4) None | Legacy Database |
| cas-inchi-key | InChIKey=XCKMWFCDHOELIZ-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 340 °C None | Legacy Database |
| cas-name | Calcium chlorate None | Legacy Database |
| wikipedia-name | Calcium chlorate None | Legacy Database |
| LogP | -3.3158 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 124.53599999999999 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 123.92401255200001 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 5 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 66.35 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 7.972799999999999 | RDKit |
