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Molecule
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 Mass
- 72.06 g/mol
Identifiers
CAS Registry Number
692-45-5
SMILES
C=COC=O
InChI Key
GFJVXXWOPWLRNU-UHFFFAOYSA-N
InChI
InChI=1S/C3H4O2/c1-2-5-3-4/h2-3H,1H2
Names and Synonyms
- Vinyl Formate Common Name
- Formic acid, ethenyl ester Synonym
- Formic acid, vinyl ester Synonym
- Vinyl formate Synonym
- NSC 8403 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 72.06 g/mol | CAS Common Chemistry |
| 72.063 g/mol | RDKit | |
| Density | 0.96 g/cm³ | CAS Common Chemistry |
| 0.963 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Vinyl_formate | CAS Common Chemistry |
| Canonical SMILES | O=COC=C | CAS Common Chemistry |
| InChI | InChI=1S/C3H4O2/c1-2-5-3-4/h2-3H,1H2 | CAS Common Chemistry |
| InChI Key | InChIKey=GFJVXXWOPWLRNU-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Vinyl formate | CAS Common Chemistry |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 26.3 Ų | RDKit |
| LogP | 0.30289999999999995 | RDKit |
| 0.3029 | RDKit | |
| Molar Refractivity | 17.346 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 72.021129368 g/mol | RDKit |
| Boiling Point | 46.8-47.0 °C @ 766 Torr | CAS Common Chemistry |
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
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MW = 72.06 g/mol; density = 0.960 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C3H4O2.
