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Molecule
Sodium Hydroxymethanesulfonate
CAS: 870-72-4 · CH4NaO4S
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 870-72-4
- Molecular Formula
- CH4NaO4S
- Molecular Mass
- 135.10 g/mol
Identifiers
CAS Registry Number
870-72-4
SMILES
O=S(=O)(O)CO.[Na]
InChI Key
VKJQZSSBQZSTIM-UHFFFAOYSA-N
InChI
InChI=1S/CH4O4S.Na/c2-1-6(3,4)5;/h2H,1H2,(H,3,4,5);
Names and Synonyms
- Sodium Hydroxymethanesulfonate Common Name
- Methanesulfonic acid, 1-hydroxy-, sodium salt (1:1) Synonym
- Methanesulfonic acid, hydroxy-, monosodium salt Synonym
- Methanesulfonic acid, hydroxy-, sodium salt Synonym
- Formaldehyde, compd. with NaHSO3 Synonym
- Formaldehyde sulfite sodium salt Synonym
- Sodium hydroxymethanesulfonate Synonym
- Sodium formaldehyde bisulfite Synonym
- Formaldehyde-sodium bisulfite adduct Synonym
- Sodium hydroxymethylsulfonate Synonym
- Monosodium hydroxymethanesulfonate Synonym
- Hydroxymethanesulfonic acid sodium salt Synonym
- Formaldehyde, compd. with monosodium sulfite Synonym
- Formbis Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 135.10 g/mol | CAS Common Chemistry |
| 135.09599999999998 g/mol | RDKit | |
| 135.096 g/mol | RDKit | |
| 136.097 g/mol | chempirical lib | |
| 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 |
| 74.6 Ų | RDKit | |
| LogP | -1.5567999999999997 | RDKit |
| -1.5568 | RDKit | |
| Molar Refractivity | 24.388399999999997 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 134.972798888 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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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 = 135.10 g/mol. Edit any field — others recompute live.
