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Ethyl 3-(4-Methylphenyl)-2-Propenoate
CAS: 20511-20-0 | C12H14O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
20511-20-0
Molecular Formula:
C12H14O2
Molecular Mass:
190.24 g/mol
Names and Synonyms:
Ethyl 3-(4-Methylphenyl)-2-Propenoate
2-Propenoic acid, 3-(4-methylphenyl)-, ethyl ester
Cinnamic acid, p-methyl-, ethyl ester
Ethyl 3-(4-methylphenyl)-2-propenoate
Ethyl p-methylcinnamate
4-Methylcinnamic acid ethyl ester
Ethyl 4-methylcinnamate
NSC 338436
Ethyl 3-(p-tolyl)acrylate
Ethyl 3-(4-methylphenyl)propenoate
Identifiers:
SMILES:
CCOC(=O)C=Cc1ccc(C)cc1
InChI:
InChI=1S/C12H14O2/c1-3-14-12(13)9-8-11-6-4-10(2)5-7-11/h4-9H,3H2,1-2H3
Key Properties
Boiling Point
142 °C @ Press: 1 Torr
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 190.24 g/mol | CAS Common Chemistry |
| 190.242 g/mol | RDKit | |
| 190.099379688 g/mol | RDKit | |
| Boiling Point | 142 °C @ Press: 1 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C(OCC)C=CC1=CC=C(C=C1)C | CAS Common Chemistry |
| InChI | InChI=1S/C12H14O2/c1-3-14-12(13)9-8-11-6-4-10(2)5-7-11/h4-9H,3H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=IMKVSWPEZCELRM-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Ethyl 3-(4-methylphenyl)-2-propenoate | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 26.3 Ų | RDKit |
| LogP | 2.571320000000001 | RDKit |
| Molar Refractivity | 56.84600000000003 | RDKit |
