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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 Mass:
127.08 g/mol
Names and Synonyms:
Nitrosylsulfuric Acid
Sulfuric acid, anhydride with nitrous acid (1:1)
Nitrosyl sulfate ((NO)H(SO4))
Nitrosyl sulfate
Sulfuric acid, monoanhydride with nitrous acid
Nitrosulfonic acid
Nitrosyl hydrogen sulfate
Nitrosylsulfuric acid
Nitrosylsulfuric acid (NOHSO4)
Nitrosonium bisulfate
Nitrosyl bisulfate
Nitrosonium hydrogen sulfate
ADWL 03
Identifiers:
SMILES:
O=NOS(=O)(=O)O
InChI:
InChI=1S/HNO5S/c2-1-6-7(3,4)5/h(H,3,4,5)
Key Properties
Melting Point
73-74 °C
CAS Common Chemistry
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 | 127.08 g/mol | CAS Common Chemistry |
| 127.07699999999998 g/mol | RDKit | |
| 126.95754313200001 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Nitrosylsulfuric_acid | CAS Common Chemistry |
| Canonical SMILES | O=NOS(=O)(=O)O | CAS Common Chemistry |
| InChI | InChI=1S/HNO5S/c2-1-6-7(3,4)5/h(H,3,4,5) | CAS Common Chemistry |
| InChI Key | InChIKey=VQTGUFBGYOIUFS-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 73-74 °C | CAS Common Chemistry |
| Name | Nitrosylsulfuric acid | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 93.03 Ų | RDKit |
| LogP | -0.5127999999999999 | RDKit |
| Molar Refractivity | 18.4286 | RDKit |
