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Sodium Sulfite Heptahydrate
CAS: 10102-15-5 | H16Na2O10S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
10102-15-5
Molecular Formula:
H16Na2O10S
Molecular Mass:
254.16 g/mol
Names and Synonyms:
Sodium Sulfite Heptahydrate
Sulfurous acid, disodium salt, heptahydrate
Sodium sulfite heptahydrate
Identifiers:
SMILES:
O.O.O.O.O.O.O.O=S(O)O.[Na].[Na]
InChI:
InChI=1S/2Na.H2O3S.7H2O/c;;1-4(2)3;;;;;;;/h;;(H2,1,2,3);7*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 | 254.16 g/mol | CAS Common Chemistry |
| 254.16500000000005 g/mol | RDKit | |
| 254.02595627199997 g/mol | RDKit | |
| Canonical SMILES | [Na].O=S(O)O.O | CAS Common Chemistry |
| InChI | InChI=1S/2Na.H2O3S.7H2O/c;;1-4(2)3;;;;;;;/h;;(H2,1,2,3);7*1H2 | CAS Common Chemistry |
| InChI Key | InChIKey=YTTPIQHLMHSJAM-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Sodium sulfite heptahydrate | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 278.03000000000003 Ų | RDKit |
| LogP | -6.853399999999994 | RDKit |
| Molar Refractivity | 50.20460000000003 | RDKit |
