Back to Search
Molecule
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
Identifiers
CAS Registry Number
3638-64-0
SMILES
C=C[N+](=O)[O-]
InChI Key
RPMXALUWKZHYOV-UHFFFAOYSA-N
InChI
InChI=1S/C2H3NO2/c1-2-3(4)5/h2H,1H2
Names and Synonyms
- Nitroethylene Common Name
- Ethene, nitro- Synonym
- Ethylene, nitro- Synonym
- Nitroethylene Synonym
- 1-Nitroethylene Synonym
- Nitroethene Synonym
- 1-Nitroethene Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 73.05 g/mol | CAS Common Chemistry |
| 73.051 g/mol | RDKit | |
| Density | 1.07 g/cm³ | CAS Common Chemistry |
| 1.073 g/cm3 @ 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 |
| 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 |
| 0.4066 | RDKit | |
| Molar Refractivity | 17.191399999999998 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 73.016378336 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
Convert
Quick conversion
MW = 73.05 g/mol; density = 1.070 g/mL. Edit any field — others recompute live.
