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Nitrosylsulfuric Acid
CAS: 7782-78-7 | HNO5S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7782-78-7
Molecular Formula:
HNO5S
Molecular Weight:
127.07699999999998 g/mol
Names and Synonyms:
Nitrosylsulfuric Acid
ADWL 03
Nitrosonium hydrogen sulfate
Nitrosyl bisulfate
Nitrosonium bisulfate
Nitrosylsulfuric acid (NOHSO4)
Nitrosylsulfuric acid
Nitrosyl hydrogen sulfate
Nitrosulfonic acid
Sulfuric acid, monoanhydride with nitrous acid
Nitrosyl sulfate
Nitrosyl sulfate ((NO)H(SO4))
Sulfuric acid, anhydride with nitrous acid (1:1)
Identifiers:
SMILES:
O=NOS(=O)(=O)O
InChI:
InChI=1S/HNO5S/c2-1-6-7(3,4)5/h(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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 127.07699999999998 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 126.95754313200001 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 7 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 5 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 2 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 93.03 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -0.5127999999999999 | RDKit |
| molecular_mass | 127.08 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Nitrosylsulfuric_acid None | Legacy Database |
| cas-canonical-smile | O=NOS(=O)(=O)O None | Legacy Database |
| cas-inchi | InChI=1S/HNO5S/c2-1-6-7(3,4)5/h(H,3,4,5) None | Legacy Database |
| cas-inchi-key | InChIKey=VQTGUFBGYOIUFS-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 73-74 °C None | Legacy Database |
| cas-name | Nitrosylsulfuric acid None | Legacy Database |
| wikipedia-name | Nitrosylsulfuric acid None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 18.4286 | RDKit |
