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Molecule
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 Mass
- 82.81 g/mol
Identifiers
CAS Registry Number
7632-04-4
SMILES
O=BOO.[Na]
InChI Key
LIDGZFYRDNLUNX-UHFFFAOYSA-N
InChI
InChI=1S/BHO3.Na/c2-1-4-3;/h3H;
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
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 82.81 g/mol | CAS Common Chemistry |
| 82.991643572 g/mol | RDKit | |
| 82.807 g/mol | RDKit | |
| 83.813 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Sodium_perborate | CAS Common Chemistry |
| Canonical SMILES | [Na].O=BOO | CAS Common Chemistry |
| InChI | InChI=1S/BHO3.Na/c2-1-4-3;/h3H; | CAS Common Chemistry |
| InChI Key | InChIKey=LIDGZFYRDNLUNX-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Sodium peroxoborate | CAS Common Chemistry |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 46.53 Ų | RDKit |
| LogP | -0.9401000000000002 | RDKit |
| -0.9401 | RDKit | |
| Molar Refractivity | 15.908299999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 82.807 g/mol | RDKit |
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 = 82.81 g/mol. Edit any field — others recompute live.
