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Hydroxylamine-O-Sulfonic Acid
CAS: 2950-43-8 | H3NO4S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2950-43-8
Molecular Formula:
H3NO4S
Molecular Weight:
113.09399999999998 g/mol
Names and Synonyms:
Hydroxylamine-O-Sulfonic Acid
Sulfuric acid, monoazanyl ester
Hydroxylamine-O-sulfonic acid
Amidoperoxymonosulfuric acid
Amidosulfonic peracid
Aminomonopersulfuric acid
Ammonia-N-oxide-O-sulfonic acid betaine
Hydroxylamine, O-sulfo-
Permonosulfamic acid
Sulfoperamidic acid
Amidoperoxymonosulfuric acid (HOS(O)2ONH2)
HAOS
Hydroxylaminesulfonic acid
(Aminooxy)sulfonic acid
(Aminooxy)(hydroxy)sulfane dioxide
Identifiers:
SMILES:
NOS(=O)(=O)O
InChI:
InChI=1S/H3NO4S/c1-5-6(2,3)4/h1H2,(H,2,3,4)
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 | 113.09 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Hydroxylamine-O-sulfonic_acid None | Legacy Database |
| cas-boiling-point | 39 °C @ Press: 0.4 Torr None | Legacy Database |
| cas-canonical-smile | O=S(=O)(O)ON None | Legacy Database |
| cas-inchi | InChI=1S/H3NO4S/c1-5-6(2,3)4/h1H2,(H,2,3,4) None | Legacy Database |
| cas-inchi-key | InChIKey=DQPBABKTKYNPMH-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 210 °C None | Legacy Database |
| cas-name | Hydroxylamine-O-sulfonic acid None | Legacy Database |
| wikipedia-name | Hydroxylamine-O-sulfonic acid None | Legacy Database |
| LogP | -1.3204999999999996 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 113.09399999999998 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 112.97827857600001 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 6 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 4 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 89.62 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 16.821 | RDKit |
