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Calcium Perchlorate
CAS: 13477-36-6 | HCaClO4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
13477-36-6
Molecular Formula:
HCaClO4
Molecular Weight:
140.535 g/mol
Names and Synonyms:
Calcium Perchlorate
Perchloric acid, calcium salt (2:1)
Perchloric acid, calcium salt
Calcium perchlorate
Calcium diperchlorate
Calcium perchlorate (Ca(ClO4)2)
Identifiers:
SMILES:
[Ca].[O-][Cl+3]([O-])([O-])O
InChI:
InChI=1S/Ca.ClHO4/c;2-1(3,4)5/h;(H,2,3,4,5)
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 |
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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
Molecular
Property | Value | Source |
---|---|---|
Molecular Weight | 140.535 g/mol | RDKit |
Exact
Property | Value | Source |
---|---|---|
Exact Molecular Weight | 139.91892717200002 g/mol | RDKit |
Heavy
Property | Value | Source |
---|---|---|
Heavy Atom Count | 6 count | RDKit |
Hydrogen
Property | Value | Source |
---|---|---|
Hydrogen Bond Acceptors | 4 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 | 89.41 Ų | RDKit |
Physical Properties
Property | Value | Source |
---|---|---|
LogP | -4.5047999999999995 | RDKit |
molecular_mass | 140.54 g/mol | Legacy Database |
wikipedia_url | https://en.wikipedia.org/wiki/Calcium_perchlorate None | Legacy Database |
cas-canonical-smile | [Ca].O=Cl(=O)(=O)O None | Legacy Database |
cas-inchi | InChI=1S/Ca.ClHO4/c;2-1(3,4)5/h;(H,2,3,4,5) None | Legacy Database |
cas-inchi-key | InChIKey=RHBQTXJCMRJGPR-UHFFFAOYSA-N None | Legacy Database |
cas-name | Calcium perchlorate None | Legacy Database |
wikipedia-name | Calcium perchlorate None | Legacy Database |
Molar
Property | Value | Source |
---|---|---|
Molar Refractivity | 7.972799999999999 | RDKit |