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Nitroethylene
CAS: 3638-64-0 | C2H3NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3638-64-0
Molecular Formula:
C2H3NO2
Molecular Mass:
73.05 g/mol
Names and Synonyms:
Nitroethylene
Ethene, nitro-
Ethylene, nitro-
Nitroethylene
1-Nitroethylene
Nitroethene
1-Nitroethene
Identifiers:
SMILES:
C=C[N+](=O)[O-]
InChI:
InChI=1S/C2H3NO2/c1-2-3(4)5/h2H,1H2
Key Properties
Boiling Point
98.5 °C
CAS Common Chemistry
Melting Point
-55.5 °C
CAS Common Chemistry
Density
1.07 g/cm³
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 | 73.05 g/mol | CAS Common Chemistry |
| 73.051 g/mol | RDKit | |
| 73.016378336 g/mol | RDKit | |
| Density | 1.07 g/cm³ | CAS Common Chemistry |
| 1.073 g/cm3 @ Temp: 13.8 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Nitroethylene | CAS Common Chemistry |
| Boiling Point | 98.5 °C | CAS Common Chemistry |
| Canonical SMILES | O=N(=O)C=C | CAS Common Chemistry |
| InChI | InChI=1S/C2H3NO2/c1-2-3(4)5/h2H,1H2 | CAS Common Chemistry |
| InChI Key | InChIKey=RPMXALUWKZHYOV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -55.5 °C | CAS Common Chemistry |
| Name | Ethene, nitro- | CAS Common Chemistry |
| Nitroethylene | CAS Common Chemistry | |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 43.14 Ų | RDKit |
| LogP | 0.40659999999999996 | RDKit |
| Molar Refractivity | 17.191399999999998 | RDKit |
