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Molecule
Calcium Perchlorate
CAS: 13477-36-6 · HCaClO4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 13477-36-6
- Molecular Formula
- HCaClO4
- Molecular Mass
- 140.54 g/mol
Identifiers
CAS Registry Number
13477-36-6
SMILES
[Ca].[O-][Cl+3]([O-])([O-])O
InChI Key
RHBQTXJCMRJGPR-UHFFFAOYSA-N
InChI
InChI=1S/Ca.ClHO4/c;2-1(3,4)5/h;(H,2,3,4,5)
Names and Synonyms
- Calcium Perchlorate Synonym
- Perchloric acid, calcium salt (2:1) Synonym
- Perchloric acid, calcium salt Synonym
- Calcium perchlorate Synonym
- Calcium diperchlorate Synonym
- Calcium perchlorate (Ca(ClO4)2) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 140.54 g/mol | CAS Common Chemistry |
| 140.535 g/mol | RDKit | |
| 142.548 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Calcium_perchlorate | CAS Common Chemistry |
| Canonical SMILES | [Ca].O=Cl(=O)(=O)O | CAS Common Chemistry |
| InChI | InChI=1S/Ca.ClHO4/c;2-1(3,4)5/h;(H,2,3,4,5) | CAS Common Chemistry |
| InChI Key | InChIKey=RHBQTXJCMRJGPR-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Calcium perchlorate | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 89.41 Ų | RDKit |
| LogP | -4.5047999999999995 | RDKit |
| -4.5048 | RDKit | |
| Molar Refractivity | 7.972799999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 139.91892717200002 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 = 140.54 g/mol. Edit any field — others recompute live.
