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Sodium Hydroxymethanesulfonate
CAS: 870-72-4 | CH4NaO4S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
870-72-4
Molecular Formula:
CH4NaO4S
Molecular Mass:
135.10 g/mol
Names and Synonyms:
Sodium Hydroxymethanesulfonate
Methanesulfonic acid, 1-hydroxy-, sodium salt (1:1)
Methanesulfonic acid, hydroxy-, monosodium salt
Methanesulfonic acid, hydroxy-, sodium salt
Formaldehyde, compd. with NaHSO3
Formaldehyde sulfite sodium salt
Sodium hydroxymethanesulfonate
Sodium formaldehyde bisulfite
Formaldehyde-sodium bisulfite adduct
Sodium hydroxymethylsulfonate
Monosodium hydroxymethanesulfonate
Hydroxymethanesulfonic acid sodium salt
Formaldehyde, compd. with monosodium sulfite
Formbis
Identifiers:
SMILES:
O=S(=O)(O)CO.[Na]
InChI:
InChI=1S/CH4O4S.Na/c2-1-6(3,4)5;/h2H,1H2,(H,3,4,5);
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 | 135.10 g/mol | CAS Common Chemistry |
| 135.09599999999998 g/mol | RDKit | |
| 134.972798888 g/mol | RDKit | |
| Canonical SMILES | [Na].O=S(=O)(O)CO | CAS Common Chemistry |
| InChI | InChI=1S/CH4O4S.Na/c2-1-6(3,4)5;/h2H,1H2,(H,3,4,5); | CAS Common Chemistry |
| InChI Key | InChIKey=VKJQZSSBQZSTIM-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Sodium hydroxymethanesulfonate | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 74.60000000000001 Ų | RDKit |
| LogP | -1.5567999999999997 | RDKit |
| Molar Refractivity | 24.388399999999997 | RDKit |
