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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:
255.80 g/mol
Names and Synonyms:
Perchloric Acid, Barium Salt, Trihydrate
Perchloric acid, barium salt, trihydrate
Barium perchlorate trihydrate
Barium diperchlorate trihydrate
Identifiers:
SMILES:
O.[Ba].[O-][Cl+3]([O-])([O-])O
InChI:
InChI=1S/Ba.ClHO4.H2O/c;2-1(3,4)5;/h;(H,2,3,4,5);1H2
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 | 255.80 g/mol | CAS Common Chemistry |
| 255.8 g/mol | RDKit | |
| 255.872148076 g/mol | RDKit | |
| 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 |
| 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 |
| LogP | -5.329499999999999 | RDKit |
| Molar Refractivity | 11.586599999999999 | RDKit |
