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Barium Permanganate
CAS: 7787-36-2 | HBaMnO4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7787-36-2
Molecular Formula:
HBaMnO4
Molecular Mass:
257.27 g/mol
Names and Synonyms:
Barium Permanganate
Permanganic acid (HMnO4), barium salt
Barium permanganate
Barium manganate (Ba(MnO4)2)
Identifiers:
SMILES:
[Ba].[Mn+].[OH-].[O].[O].[O]
InChI:
InChI=1S/Ba.Mn.H2O.3O/h;;1H2;;;/q;+1;;;;/p-1
Key Properties
Melting Point
200 °C (decomp)
CAS Common Chemistry
Density
3.77 g/cm³
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 257.27 g/mol | CAS Common Chemistry |
| 257.27000000000004 g/mol | RDKit | |
| 257.830775812 g/mol | RDKit | |
| Density | 3.77 g/cm³ | CAS Common Chemistry |
| 3.77 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Barium_permanganate | CAS Common Chemistry |
| Canonical SMILES | [Ba].O=[Mn](=O)(=O)O | CAS Common Chemistry |
| InChI | InChI=1S/Ba.Mn.H2O.3O/h;;1H2;;;/q;+1;;;;/p-1 | CAS Common Chemistry |
| InChI Key | InChIKey=RZHDLOSXNJMRQD-UHFFFAOYSA-M | CAS Common Chemistry |
| Melting Point | 200 °C (decomp) | CAS Common Chemistry |
| Name | Permanganic acid (HMnO4), barium salt | CAS Common Chemistry |
| Barium 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 |
| Molar Refractivity | 9.7493 | RDKit |
