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Barium Hydroxide
CAS: 17194-00-2 | H2BaO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
17194-00-2
Molecular Formula:
H2BaO2
Molecular Mass:
171.34 g/mol
Names and Synonyms:
Barium Hydroxide
Barium hydroxide (Ba(OH)2)
Barium hydroxide
Caustic baryta
Barium dihydroxide
Identifiers:
SMILES:
[Ba+2].[OH-].[OH-]
InChI:
InChI=1S/Ba.2H2O/h;2*1H2/q+2;;/p-2
Key Properties
Melting Point
408 °C
CAS Common Chemistry
Density
1.03 g/cm³
CAS Common Chemistry
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 | 171.34 g/mol | CAS Common Chemistry |
| 171.342 g/mol | RDKit | |
| 171.910726504 g/mol | RDKit | |
| Density | 1.03 g/cm³ | CAS Common Chemistry |
| 1.025 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Barium_hydroxide | CAS Common Chemistry |
| Canonical SMILES | O[Ba]O | CAS Common Chemistry |
| InChI | InChI=1S/Ba.2H2O/h;2*1H2/q+2;;/p-2 | CAS Common Chemistry |
| InChI Key | InChIKey=RQPZNWPYLFFXCP-UHFFFAOYSA-L | CAS Common Chemistry |
| Melting Point | 408 °C | CAS Common Chemistry |
| Name | Barium hydroxide | CAS Common Chemistry |
| Heavy Atom Count | 3 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 60.0 Ų | RDKit |
| LogP | -0.7343999999999999 | RDKit |
| Molar Refractivity | 9.6256 | RDKit |
