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Molecule
Nitrous Acid
CAS: 7782-77-6 · HNO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 7782-77-6
- Molecular Formula
- HNO2
- Molecular Mass
- 47.01 g/mol
Identifiers
CAS Registry Number
7782-77-6
SMILES
O=NO
InChI Key
IOVCWXUNBOPUCH-UHFFFAOYSA-N
InChI
InChI=1S/HNO2/c2-1-3/h(H,2,3)
Names and Synonyms
- Nitrous Acid Common Name
- Nitrous acid Synonym
- Nitrosyl hydroxide Synonym
- Nitrous acid (HNO2) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 47.01 g/mol | CAS Common Chemistry |
| 47.013000000000005 g/mol | RDKit | |
| 47.013 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Nitrous_acid | CAS Common Chemistry |
| Canonical SMILES | O=NO | CAS Common Chemistry |
| InChI | InChI=1S/HNO2/c2-1-3/h(H,2,3) | CAS Common Chemistry |
| InChI Key | InChIKey=IOVCWXUNBOPUCH-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Nitrous acid | CAS Common Chemistry |
| Heavy Atom Count | 3 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 49.66 Ų | RDKit |
| LogP | 0.14200000000000002 | RDKit |
| 0.142 | RDKit | |
| Molar Refractivity | 7.5815 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 47.000728272 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
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.
External Resources
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MW = 47.01 g/mol. Edit any field — others recompute live.
