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Molecule
Barium Selenate
CAS: 7787-41-9 · H2BaO4Se
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 7787-41-9
- Molecular Formula
- H2BaO4Se
- Molecular Mass
- 282.30 g/mol
Identifiers
CAS Registry Number
7787-41-9
SMILES
O=[Se](=O)(O)O.[Ba]
InChI Key
GQNCNDNVQBOGRU-UHFFFAOYSA-N
InChI
InChI=1S/Ba.H2O4Se/c;1-5(2,3)4/h;(H2,1,2,3,4)
Names and Synonyms
- Barium Selenate Common Name
- Selenic acid, barium salt (1:1) Synonym
- Selenic acid (H2SeO4), barium salt (1:1) Synonym
- Barium selenate Synonym
- Barium selenate (BaSeO4) Synonym
- Selcote Ultra Synonym
- Deposel Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 282.30 g/mol | CAS Common Chemistry |
| 283.817077044 g/mol | RDKit | |
| 282.3 g/mol | RDKit | |
| 284.315 g/mol | chempirical lib | |
| Canonical SMILES | [Ba].O=[Se](=O)(O)O | CAS Common Chemistry |
| InChI | InChI=1S/Ba.H2O4Se/c;1-5(2,3)4/h;(H2,1,2,3,4) | CAS Common Chemistry |
| InChI Key | InChIKey=GQNCNDNVQBOGRU-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Barium selenate | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 74.60000000000001 Ų | RDKit |
| 74.6 Ų | RDKit | |
| LogP | -2.1132 | RDKit |
| Molar Refractivity | 17.3186 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 282.29999999999995 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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 = 282.30 g/mol. Edit any field — others recompute live.
