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Molecule
Barium Hydroxide (Ba(Oh)2), Monohydrate
CAS: 22326-55-2 · H4BaO3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 22326-55-2
- Molecular Formula
- H4BaO3
- Molecular Mass
- 189.36 g/mol
Identifiers
CAS Registry Number
22326-55-2
SMILES
O.[Ba+2].[OH-].[OH-]
InChI Key
GKQTUHKAQKWLIN-UHFFFAOYSA-L
InChI
InChI=1S/Ba.3H2O/h;3*1H2/q+2;;;/p-2
Names and Synonyms
- Barium Hydroxide (Ba(Oh)2), Monohydrate Systematic Name
- Barium hydroxide (Ba(OH)2), monohydrate Synonym
- Barium hydroxide, monohydrate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 189.36 g/mol | CAS Common Chemistry |
| 189.35700000000003 g/mol | RDKit | |
| 189.921291188 g/mol | RDKit | |
| 193.388 g/mol | chempirical lib | |
| Canonical SMILES | O.O[Ba]O | CAS Common Chemistry |
| InChI | InChI=1S/Ba.3H2O/h;3*1H2/q+2;;;/p-2 | CAS Common Chemistry |
| InChI Key | InChIKey=GKQTUHKAQKWLIN-UHFFFAOYSA-L | CAS Common Chemistry |
| Name | Barium hydroxide (Ba(OH)2), monohydrate | CAS Common Chemistry |
| Heavy Atom Count | 4 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 91.5 Ų | RDKit |
| LogP | -1.5591 | RDKit |
| Molar Refractivity | 13.2394 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 189.357 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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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 = 189.36 g/mol. Edit any field — others recompute live.
