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Methyl 4-Methoxycinnamate
CAS: 832-01-9 | C11H12O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
832-01-9
Molecular Formula:
C11H12O3
Molecular Mass:
192.21 g/mol
Names and Synonyms:
Methyl 4-Methoxycinnamate
2-Propenoic acid, 3-(4-methoxyphenyl)-, methyl ester
Cinnamic acid, p-methoxy-, methyl ester
Methyl p-methoxycinnamate
Methyl 4-methoxycinnamate
Methyl 3-(4-methoxyphenyl)-2-propenoate
3-(4-Methoxyphenyl)-2-propenoic acid methyl ester
NSC 26461
Methyl 3-(4-methoxyphenyl)acrylate
Methyl 3-(4-methoxyphenyl)propenoate
Identifiers:
SMILES:
COC(=O)C=Cc1ccc(OC)cc1
InChI:
InChI=1S/C11H12O3/c1-13-10-6-3-9(4-7-10)5-8-11(12)14-2/h3-8H,1-2H3
Key Properties
Boiling Point
110 °C @ Press: 0.01 Torr
CAS Common Chemistry
Melting Point
89 °C
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 | 192.21 g/mol | CAS Common Chemistry |
| 192.21399999999997 g/mol | RDKit | |
| 192.078644244 g/mol | RDKit | |
| Boiling Point | 110 °C @ Press: 0.01 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C(OC)C=CC1=CC=C(OC)C=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C11H12O3/c1-13-10-6-3-9(4-7-10)5-8-11(12)14-2/h3-8H,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=VEZIKIAGFYZTCI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 89 °C | CAS Common Chemistry |
| Name | Methyl 4-methoxycinnamate | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 35.53 Ų | RDKit |
| LogP | 1.8814 | RDKit |
| Molar Refractivity | 54.044000000000025 | RDKit |
