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Molecule
Sodium Sulfite Heptahydrate
CAS: 10102-15-5 · H16Na2O10S
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 10102-15-5
- Molecular Formula
- H16Na2O10S
- Molecular Mass
- 254.16 g/mol
Identifiers
CAS Registry Number
10102-15-5
SMILES
O.O.O.O.O.O.O.O=S(O)O.[Na].[Na]
InChI Key
YTTPIQHLMHSJAM-UHFFFAOYSA-N
InChI
InChI=1S/2Na.H2O3S.7H2O/c;;1-4(2)3;;;;;;;/h;;(H2,1,2,3);7*1H2
Names and Synonyms
- Sodium Sulfite Heptahydrate Synonym
- Sulfurous acid, disodium salt, heptahydrate Synonym
- Sodium sulfite heptahydrate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 254.16 g/mol | CAS Common Chemistry |
| 254.16500000000005 g/mol | RDKit | |
| 254.165 g/mol | RDKit | |
| 256.174 g/mol | chempirical lib | |
| 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 |
| 278.03 Ų | RDKit | |
| LogP | -6.853399999999994 | RDKit |
| -6.8534 | RDKit | |
| Molar Refractivity | 50.20460000000003 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 254.02595627199997 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 = 254.16 g/mol. Edit any field — others recompute live.
