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Sodium Perborate
CAS: 7632-04-4 | HBNaO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7632-04-4
Molecular Formula:
HBNaO3
Molecular Weight:
82.807 g/mol
Names and Synonyms:
Sodium Perborate
Synonym
Perboric acid (HBO(O2)), sodium salt (1:1)
Synonym
Perboric acid (HBO3), sodium salt
Synonym
Perboric acid (HBO(O2)), sodium salt
Synonym
Sodium perborate (NaBO3)
Synonym
Sodium perborate
Synonym
Sodium borate (NaBO3)
Synonym
Sodium peroxoborate
Synonym
Perborn
Synonym
Identifiers:
SMILES:
O=BOO.[Na]
InChI:
InChI=1S/BHO3.Na/c2-1-4-3;/h3H;
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
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Donors | 1 count | RDKit |
| Hydrogen Bond Acceptors | 3 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 46.53 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -0.9401000000000002 | RDKit |
| molecular_mass | 82.81 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Sodium_perborate None | Legacy Database |
| cas-canonical-smile | [Na].O=BOO None | Legacy Database |
| cas-inchi | InChI=1S/BHO3.Na/c2-1-4-3;/h3H; None | Legacy Database |
| cas-inchi-key | InChIKey=LIDGZFYRDNLUNX-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Sodium peroxoborate None | Legacy Database |
| wikipedia-name | Sodium perborate None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 15.908299999999999 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 82.807 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 82.991643572 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 5 count | RDKit |