Back to Search
Ethyl (2E)-3-Ethoxy-2-Propenoate
CAS: 5941-55-9 | C7H12O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
5941-55-9
Molecular Formula:
C7H12O3
Molecular Weight:
144.17 g/mol
Names and Synonyms:
Ethyl (2E)-3-Ethoxy-2-Propenoate
2-Propenoic acid, 3-ethoxy-, ethyl ester, (2E)-
2-Propenoic acid, 3-ethoxy-, ethyl ester, (E)-
Ethyl (2E)-3-ethoxy-2-propenoate
Ethyl (E)-3-ethoxy-2-propenoate
Ethyl trans-3-ethoxyacrylate
(E)-Ethyl 3-ethoxyacrylate
Ethyl (E)-3-ethoxyprop-2-enoate
Ethyl (2-E)-3-ethoxyprop-2-enoate
Ethyl (E)-3-ethoxyacrylate
Identifiers:
SMILES:
CCO/C=C/C(=O)OCC
InChI:
InChI=1S/C7H12O3/c1-3-9-6-5-7(8)10-4-2/h5-6H,3-4H2,1-2H3/b6-5+
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 144.17 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 144.078644244 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 10 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 4 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 35.53 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 1.0997 | RDKit |
| molecular_mass | 144.17 g/mol | Legacy Database |
| density | 1.00 g/cm³ | Legacy Database |
| cas-boiling-point | 60 °C @ Press: 1.8 Torr None | Legacy Database |
| cas-canonical-smile | O=C(OCC)C=COCC None | Legacy Database |
| cas-density | 0.9973 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/C7H12O3/c1-3-9-6-5-7(8)10-4-2/h5-6H,3-4H2,1-2H3/b6-5+ None | Legacy Database |
| cas-inchi-key | InChIKey=ITQFPVUDTFABDH-AATRIKPKSA-N None | Legacy Database |
| cas-name | Ethyl (2E)-3-ethoxy-2-propenoate None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 37.399 | RDKit |
