Back to Search
Molecule
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
Identifiers
CAS Registry Number
832-01-9
SMILES
COC(=O)C=Cc1ccc(OC)cc1
InChI Key
VEZIKIAGFYZTCI-UHFFFAOYSA-N
InChI
InChI=1S/C11H12O3/c1-13-10-6-3-9(4-7-10)5-8-11(12)14-2/h3-8H,1-2H3
Names and Synonyms
- Methyl 4-Methoxycinnamate Synonym
- 2-Propenoic acid, 3-(4-methoxyphenyl)-, methyl ester Synonym
- Cinnamic acid, p-methoxy-, methyl ester Synonym
- Methyl p-methoxycinnamate Synonym
- Methyl 4-methoxycinnamate Synonym
- Methyl 3-(4-methoxyphenyl)-2-propenoate Synonym
- 3-(4-Methoxyphenyl)-2-propenoic acid methyl ester Synonym
- NSC 26461 Synonym
- Methyl 3-(4-methoxyphenyl)acrylate Synonym
- Methyl 3-(4-methoxyphenyl)propenoate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 192.21 g/mol | CAS Common Chemistry |
| 192.21399999999997 g/mol | RDKit | |
| 192.214 g/mol | RDKit | |
| 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 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1818 | RDKit |
| 0.18 | chempirical lib | |
| Exact Mass | 192.078644244 g/mol | RDKit |
| Boiling Point | 110 °C @ 0.01 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
Convert
Quick conversion
MW = 192.21 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C11H12O3.
