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Molecule
Calcium Permanganate
CAS: 10118-76-0 · HCaMnO4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 10118-76-0
- Molecular Formula
- HCaMnO4
- Molecular Mass
- 160.02 g/mol
Identifiers
CAS Registry Number
10118-76-0
SMILES
[Ca].[Mn+].[OH-].[O].[O].[O]
InChI Key
NNUVWHLHDPJVRX-UHFFFAOYSA-M
InChI
InChI=1S/Ca.Mn.H2O.3O/h;;1H2;;;/q;+1;;;;/p-1
Names and Synonyms
- Calcium Permanganate Common Name
- Permanganic acid (HMnO4), calcium salt Synonym
- Calcium permanganate (Ca(MnO4)2) Synonym
- Acerdol Synonym
- Calcium permanganate Synonym
- Calcium manganate [Ca(MnO4)2] Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 160.02 g/mol | CAS Common Chemistry |
| 160.01999999999998 g/mol | RDKit | |
| 171.108 g/mol | chempirical lib | |
| Density | 2.40 g/cm³ | CAS Common Chemistry |
| 2.4 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Calcium_permanganate | CAS Common Chemistry |
| Canonical SMILES | [Ca].O=[Mn](=O)(=O)O | CAS Common Chemistry |
| InChI | InChI=1S/Ca.Mn.H2O.3O/h;;1H2;;;/q;+1;;;;/p-1 | CAS Common Chemistry |
| InChI Key | InChIKey=NNUVWHLHDPJVRX-UHFFFAOYSA-M | CAS Common Chemistry |
| Name | Calcium permanganate | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 115.5 Ų | RDKit |
| LogP | -0.9165000000000001 | RDKit |
| -0.9165 | RDKit | |
| Molar Refractivity | 9.7493 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 159.888119592 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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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 = 160.02 g/mol; density = 2.400 g/mL. Edit any field — others recompute live.
