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Barium Hydroxide (Ba(Oh)2), Monohydrate
CAS: 22326-55-2 | H4BaO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
22326-55-2
Molecular Formula:
H4BaO3
Molecular Mass:
189.36 g/mol
Names and Synonyms:
Barium Hydroxide (Ba(Oh)2), Monohydrate
Barium hydroxide (Ba(OH)2), monohydrate
Barium hydroxide, monohydrate
Identifiers:
SMILES:
O.[Ba+2].[OH-].[OH-]
InChI:
InChI=1S/Ba.3H2O/h;3*1H2/q+2;;;/p-2
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 | 189.36 g/mol | CAS Common Chemistry |
| 189.35700000000003 g/mol | RDKit | |
| 189.921291188 g/mol | RDKit | |
| 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 | RDKit |
