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Molecule
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
Identifiers
CAS Registry Number
7782-78-7
SMILES
O=NOS(=O)(=O)O
InChI Key
VQTGUFBGYOIUFS-UHFFFAOYSA-N
InChI
InChI=1S/HNO5S/c2-1-6-7(3,4)5/h(H,3,4,5)
Names and Synonyms
- Nitrosylsulfuric Acid Common Name
- Sulfuric acid, anhydride with nitrous acid (1:1) Synonym
- Nitrosyl sulfate ((NO)H(SO4)) Synonym
- Nitrosyl sulfate Synonym
- Sulfuric acid, monoanhydride with nitrous acid Synonym
- Nitrosulfonic acid Synonym
- Nitrosyl hydrogen sulfate Synonym
- Nitrosylsulfuric acid Synonym
- Nitrosylsulfuric acid (NOHSO4) Synonym
- Nitrosonium bisulfate Synonym
- Nitrosyl bisulfate Synonym
- Nitrosonium hydrogen sulfate Synonym
- ADWL 03 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 127.08 g/mol | CAS Common Chemistry |
| 127.07699999999998 g/mol | RDKit | |
| 127.077 g/mol | RDKit | |
| 127.07 g/mol | chempirical lib | |
| 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 |
| -0.5128 | RDKit | |
| Molar Refractivity | 18.4286 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 126.95754313200001 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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
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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.
External Resources
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MW = 127.08 g/mol. Edit any field — others recompute live.
