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Molecule
Perchloric Acid, Barium Salt, Trihydrate
CAS: 10294-39-0 · H3BaClO5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 10294-39-0
- Molecular Formula
- H3BaClO5
- Molecular Mass
- 255.8 g/mol
Identifiers
CAS Registry Number
10294-39-0
SMILES
O.[Ba].[O-][Cl+3]([O-])([O-])O
InChI Key
JJYDRCKFGGSBSO-UHFFFAOYSA-N
InChI
InChI=1S/Ba.ClHO4.H2O/c;2-1(3,4)5;/h;(H,2,3,4,5);1H2
Names and Synonyms
- Perchloric Acid, Barium Salt, Trihydrate Synonym
- Perchloric acid, barium salt, trihydrate Synonym
- Barium perchlorate trihydrate Synonym
- Barium diperchlorate trihydrate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Canonical SMILES | [Ba].O=Cl(=O)(=O)O.O | CAS Common Chemistry |
| InChI | InChI=1S/Ba.ClHO4.H2O/c;2-1(3,4)5;/h;(H,2,3,4,5);1H2 | CAS Common Chemistry |
| InChI Key | InChIKey=JJYDRCKFGGSBSO-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Perchloric acid, barium salt, trihydrate | CAS Common Chemistry |
| Molecular Mass | 255.8 g/mol | RDKit |
| 255.872148076 g/mol | RDKit | |
| 257.812 g/mol | chempirical lib | |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 120.91000000000001 Ų | RDKit |
| 120.91 Ų | RDKit | |
| LogP | -5.329499999999999 | RDKit |
| -5.3295 | RDKit | |
| Molar Refractivity | 11.586599999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 255.80 g/mol | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 255.80 g/mol. Edit any field — others recompute live.
