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Sodium Bisulfite
CAS: 7631-90-5 | H2NaO3S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7631-90-5
Molecular Formula:
H2NaO3S
Molecular Weight:
105.06999999999998 g/mol
Names and Synonyms:
Sodium Bisulfite
Sulfurous acid, sodium salt (1:1)
Sulfurous acid, monosodium salt
Hydrogen sulfite sodium
Sodium acid sulfite
Sodium bisulfite
Sodium bisulphite
Sodium hydrogen sulfite
Monosodium sulfite
Sodium bisulfite (NaHSO3)
FR-62
Sodium sulfite (NaHSO3)
Hydrogen sodium sulfite
E 222
HC 007
Identifiers:
SMILES:
O=S(O)O.[Na]
InChI:
InChI=1S/Na.H2O3S/c;1-4(2)3/h;(H2,1,2,3)
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 105.07 g/mol | Legacy Database |
| density | 1.48 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Sodium_bisulfite None | Legacy Database |
| cas-canonical-smile | [Na].O=S(O)O None | Legacy Database |
| cas-density | 1.48 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/Na.H2O3S/c;1-4(2)3/h;(H2,1,2,3) None | Legacy Database |
| cas-inchi-key | InChIKey=UKTDQTGMXUHPIF-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Sodium bisulfite None | Legacy Database |
| wikipedia-name | Sodium bisulfite None | Legacy Database |
| LogP | -0.6997 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 105.06999999999998 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 104.96223420400001 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 5 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 57.53 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 19.154 | RDKit |
