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Methyl Vinyl Ether
CAS: 107-25-5 | C3H6O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
107-25-5
Molecular Formula:
C3H6O
Molecular Weight:
58.08 g/mol
Names and Synonyms:
Methyl Vinyl Ether
1-(Vinyloxy)methane
1-Methoxyethylene
Methoxyethylene
Vinyl methyl ether
Methyl vinyl ether
Methoxyethene
Ether, methyl vinyl
Ethene, methoxy-
Identifiers:
SMILES:
C=COC
InChI:
InChI=1S/C3H6O/c1-3-4-2/h3H,1H2,2H3
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
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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 |
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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
| Category | Property | Value | Source |
|---|---|---|---|
| Physical Properties | cas-boiling-point | 12 °C | Legacy Database |
| cas-canonical-smile | O(C=C)C | Legacy Database | |
| molecular_mass | 58.08 g/mol | Legacy Database | |
| density | 0.77 g/cm³ | Legacy Database | |
| wikipedia_url | https://en.wikipedia.org/wiki/Methyl_vinyl_ether | Legacy Database | |
| cas-density | 0.7725 g/cm3 @ Temp: 0 °C | Legacy Database | |
| cas-inchi | InChI=1S/C3H6O/c1-3-4-2/h3H,1H2,2H3 | Legacy Database | |
| cas-inchi-key | InChIKey=XJRBAMWJDBPFIM-UHFFFAOYSA-N | Legacy Database | |
| cas-melting-point | -122 °C | Legacy Database | |
| cas-name | Methyl vinyl ether | Legacy Database | |
| wikipedia-name | Methyl vinyl ether | Legacy Database | |
| LogP | 0.7763 | RDKit | |
| Molecular | Molecular Weight | 58.08 g/mol | RDKit |
| Exact | Exact Molecular Weight | 58.041864812 g/mol | RDKit |
| Heavy | Heavy Atom Count | 4 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit | |
| Rotatable | Rotatable Bonds | 1 count | RDKit |
| Aromatic | Aromatic Ring Count | 0 count | RDKit |
| Topological | Topological Polar Surface Area | 9.23 Ų | RDKit |
| Molar | Molar Refractivity | 17.206 | RDKit |
