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Nitrogen Dioxide
CAS: 10102-44-0 | NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
10102-44-0
Molecular Formula:
NO2
Molecular Weight:
46.005 g/mol
Names and Synonyms:
Nitrogen Dioxide
Synonym
Nitrogen oxide (NO2)
Synonym
Nitrogen dioxide
Synonym
Nitrito
Synonym
Nitro
Synonym
Nitrogen dioxide (NO2)
Synonym
Nitrogen peroxide
Synonym
Nitrite radical
Synonym
Identifiers:
SMILES:
[O]N=O
InChI:
InChI=1S/NO2/c2-1-3
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 |
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200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
Shift (ppm) | DEPT | Assignment |
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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 | 46.01 g/mol | Legacy Database |
density | 1.45 g/cm³ | Legacy Database |
wikipedia_url | https://en.wikipedia.org/wiki/Nitrogen_dioxide None | Legacy Database |
cas-boiling-point | 21.15 °C None | Legacy Database |
cas-canonical-smile | [O]N=O None | Legacy Database |
cas-density | 1.45 g/cm3 None | Legacy Database |
cas-inchi | InChI=1S/NO2/c2-1-3 None | Legacy Database |
cas-inchi-key | InChIKey=JCXJVPUVTGWSNB-UHFFFAOYSA-N None | Legacy Database |
cas-melting-point | -9.3 °C None | Legacy Database |
cas-name | Nitrogen dioxide None | Legacy Database |
wikipedia-name | Nitrogen dioxide None | Legacy Database |
LogP | 0.09830000000000001 | RDKit |
Molecular
Property | Value | Source |
---|---|---|
Molecular Weight | 46.005 g/mol | RDKit |
Exact
Property | Value | Source |
---|---|---|
Exact Molecular Weight | 45.992903240000004 g/mol | RDKit |
Heavy
Property | Value | Source |
---|---|---|
Heavy Atom Count | 3 count | RDKit |
Hydrogen
Property | Value | Source |
---|---|---|
Hydrogen Bond Acceptors | 2 count | RDKit |
Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
Property | Value | Source |
---|---|---|
Rotatable Bonds | 0 count | RDKit |
Aromatic
Property | Value | Source |
---|---|---|
Aromatic Ring Count | 0 count | RDKit |
Topological
Property | Value | Source |
---|---|---|
Topological Polar Surface Area | 49.33 Ų | RDKit |
Molar
Property | Value | Source |
---|---|---|
Molar Refractivity | 6.4815000000000005 | RDKit |