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Vinyl Formate
CAS: 692-45-5 | C3H4O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
692-45-5
Molecular Formula:
C3H4O2
Molecular Weight:
72.063 g/mol
Names and Synonyms:
Vinyl Formate
Common Name
NSC 8403
Synonym
Vinyl formate
Synonym
Formic acid, vinyl ester
Synonym
Formic acid, ethenyl ester
Synonym
Identifiers:
SMILES:
C=COC=O
InChI:
InChI=1S/C3H4O2/c1-2-5-3-4/h2-3H,1H2
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
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120
100
80
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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 | 72.06 g/mol | Legacy Database |
| density | 0.96 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Vinyl_formate None | Legacy Database |
| cas-boiling-point | 46.8-47.0 °C @ Press: 766 Torr None | Legacy Database |
| cas-canonical-smile | O=COC=C None | Legacy Database |
| cas-density | 0.963 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/C3H4O2/c1-2-5-3-4/h2-3H,1H2 None | Legacy Database |
| cas-inchi-key | InChIKey=GFJVXXWOPWLRNU-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Vinyl formate None | Legacy Database |
| wikipedia-name | Vinyl formate None | Legacy Database |
| LogP | 0.30289999999999995 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 72.063 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 72.021129368 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 5 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 2 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 26.3 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 17.346 | RDKit |