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Molecule
Barium Metasilicate (Basio3)
CAS: 13255-26-0 · H2BaO3Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 13255-26-0
- Molecular Formula
- H2BaO3Si
- Molecular Mass
- 215.43 g/mol
Identifiers
CAS Registry Number
13255-26-0
SMILES
O=[Si](O)O.[Ba]
InChI Key
DLBYQWMKKHDDRH-UHFFFAOYSA-N
InChI
InChI=1S/Ba.H2O3Si/c;1-4(2)3/h;1-2H
Names and Synonyms
- Barium Metasilicate (Basio3) Common Name
- Silicic acid (H2SiO3), barium salt (1:1) Synonym
- Barium silicate (Ba(SiO3)) Synonym
- Barium metasilicate (BaO.SiO2) Synonym
- Barium metasilicate (BaSiO3) Synonym
- Barium silicon oxide (BaSiO3) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 215.43 g/mol | CAS Common Chemistry |
| 215.42700000000002 g/mol | RDKit | |
| 215.882567654 g/mol | RDKit | |
| 217.442 g/mol | chempirical lib | |
| Canonical SMILES | [Ba].O=[Si](O)O | CAS Common Chemistry |
| InChI | InChI=1S/Ba.H2O3Si/c;1-4(2)3/h;1-2H | CAS Common Chemistry |
| InChI Key | InChIKey=DLBYQWMKKHDDRH-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Barium metasilicate (BaSiO3) | CAS Common Chemistry |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 57.53 Ų | RDKit |
| LogP | -1.9944000000000002 | RDKit |
| -1.9944 | RDKit | |
| Molar Refractivity | 16.632099999999998 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 215.427 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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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.
External Resources
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MW = 215.43 g/mol. Edit any field — others recompute live.
