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Molecule
Barium Hydroxide, Octahydrate
CAS: 12230-71-6 · H18BaO10
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 12230-71-6
- Molecular Formula
- H18BaO10
- Molecular Mass
- 315.462 g/mol
Identifiers
CAS Registry Number
12230-71-6
SMILES
O.O.O.O.O.O.O.O.[Ba+2].[OH-].[OH-]
InChI Key
ZUDYPQRUOYEARG-UHFFFAOYSA-L
InChI
InChI=1S/Ba.10H2O/h;10*1H2/q+2;;;;;;;;;;/p-2
Names and Synonyms
- Barium Hydroxide, Octahydrate Synonym
- Barium hydroxide (Ba(OH)2), octahydrate Synonym
- Barium hydroxide, octahydrate Synonym
- Barium dihydroxide octahydrate Synonym
- Dihydroxybarium octahydrate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Canonical SMILES | O.O[Ba]O | CAS Common Chemistry |
| InChI | InChI=1S/Ba.10H2O/h;10*1H2/q+2;;;;;;;;;;/p-2 | CAS Common Chemistry |
| InChI Key | InChIKey=ZUDYPQRUOYEARG-UHFFFAOYSA-L | CAS Common Chemistry |
| Name | Barium hydroxide, octahydrate | CAS Common Chemistry |
| Molecular Mass | 315.462 g/mol | RDKit |
| 315.9952439759999 g/mol | RDKit | |
| 319.493 g/mol | chempirical lib | |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 312.0 Ų | RDKit |
| LogP | -7.3319999999999945 | RDKit |
| -7.332 | RDKit | |
| Molar Refractivity | 38.53600000000001 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 315.46 g/mol | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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.
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MW = 315.46 g/mol. Edit any field — others recompute live.
