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Sodium Perborate Monohydrate
CAS: 10332-33-9 | H3BNaO4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
10332-33-9
Molecular Formula:
H3BNaO4
Molecular Mass:
100.82 g/mol
Names and Synonyms:
Sodium Perborate Monohydrate
Perboric acid (HBO(O2)), sodium salt, monohydrate
Perboric acid (HBO3), sodium salt, monohydrate
Sodium perborate monohydrate
Sodium borate (NaBO3), monohydrate
Interox A
Perasafe
Clinsodent
Identifiers:
SMILES:
O.O=BOO.[Na]
InChI:
InChI=1S/BHO3.Na.H2O/c2-1-4-3;;/h3H;;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 | 100.82 g/mol | CAS Common Chemistry |
| 100.82199999999999 g/mol | RDKit | |
| 101.002208256 g/mol | RDKit | |
| Canonical SMILES | [Na].O=BOO.O | CAS Common Chemistry |
| InChI | InChI=1S/BHO3.Na.H2O/c2-1-4-3;;/h3H;;1H2 | CAS Common Chemistry |
| InChI Key | InChIKey=NUFUTDNNBBRJOH-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Sodium perborate monohydrate | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 78.03 Ų | RDKit |
| LogP | -1.7648000000000001 | RDKit |
| Molar Refractivity | 19.5221 | RDKit |
