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Chloric Acid, Barium Salt, Monohydrate
CAS: 10294-38-9 | H3BaClO4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
10294-38-9
Molecular Formula:
H3BaClO4
Molecular Mass:
239.80 g/mol
Names and Synonyms:
Chloric Acid, Barium Salt, Monohydrate
Chloric acid, barium salt, monohydrate
Barium chlorate monohydrate
Barium chlorate (Ba(ClO3)2), monohydrate
Barium dichlorate monohydrate
Identifiers:
SMILES:
O.[Ba].[O-][Cl+2]([O-])O
InChI:
InChI=1S/Ba.ClHO3.H2O/c;2-1(3)4;/h;(H,2,3,4);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 | 239.80 g/mol | CAS Common Chemistry |
| 239.80100000000002 g/mol | RDKit | |
| 239.877233456 g/mol | RDKit | |
| Canonical SMILES | [Ba].O=Cl(=O)O.O | CAS Common Chemistry |
| InChI | InChI=1S/Ba.ClHO3.H2O/c;2-1(3)4;/h;(H,2,3,4);1H2 | CAS Common Chemistry |
| InChI Key | InChIKey=MGTQPPQWGMSTRB-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Chloric acid, barium salt, monohydrate | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 97.85000000000001 Ų | RDKit |
| LogP | -4.1405 | RDKit |
| Molar Refractivity | 11.586599999999999 | RDKit |
