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Molecule
Barium Manganate
CAS: 7787-35-1 · H2BaMnO4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 7787-35-1
- Molecular Formula
- H2BaMnO4
- Molecular Mass
- 258.28 g/mol
Identifiers
CAS Registry Number
7787-35-1
SMILES
[Ba].[Mn+2].[OH-].[OH-].[O].[O]
InChI Key
VQESSEMRXNWKMZ-UHFFFAOYSA-L
InChI
InChI=1S/Ba.Mn.2H2O.2O/h;;2*1H2;;/q;+2;;;;/p-2
Names and Synonyms
- Barium Manganate Common Name
- Manganic acid (H2MnO4), barium salt (1:1) Synonym
- Barium manganate(VI) Synonym
- C.I. 77110 Synonym
- Barium manganese oxide (BaMnO4) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 258.28 g/mol | CAS Common Chemistry |
| 258.838600844 g/mol | RDKit | |
| 258.278 g/mol | RDKit | |
| 268.357 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Barium_manganate | CAS Common Chemistry |
| Canonical SMILES | [Ba].O=[Mn](=O)(O)O | CAS Common Chemistry |
| InChI | InChI=1S/Ba.Mn.2H2O.2O/h;;2*1H2;;/q;+2;;;;/p-2 | CAS Common Chemistry |
| InChI Key | InChIKey=VQESSEMRXNWKMZ-UHFFFAOYSA-L | CAS Common Chemistry |
| Name | Manganic acid (H2MnO4), barium salt (1:1) | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 117.0 Ų | RDKit |
| LogP | -0.9744999999999999 | RDKit |
| -0.9745 | RDKit | |
| Molar Refractivity | 10.998600000000001 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 258.278 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
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 = 258.28 g/mol. Edit any field — others recompute live.
