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Molecule
Ethyl (E)-4-Methoxycinnamate
CAS: 24393-56-4 · C12H14O3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 24393-56-4
- Molecular Formula
- C12H14O3
- Molecular Mass
- 206.24 g/mol
Identifiers
CAS Registry Number
24393-56-4
SMILES
CCOC(=O)/C=C/c1ccc(OC)cc1
InChI Key
DHNGCHLFKUPGPX-RMKNXTFCSA-N
InChI
InChI=1S/C12H14O3/c1-3-15-12(13)9-6-10-4-7-11(14-2)8-5-10/h4-9H,3H2,1-2H3/b9-6+
Names and Synonyms
- Ethyl (E)-4-Methoxycinnamate Synonym
- 2-Propenoic acid, 3-(4-methoxyphenyl)-, ethyl ester, (2E)- Synonym
- 2-Propenoic acid, 3-(4-methoxyphenyl)-, ethyl ester, (E)- Synonym
- Ethyl (E)-p-methoxycinnamate Synonym
- Ethyl trans-p-methoxycinnamate Synonym
- Ethyl (E)-3-(p-methoxyphenyl)-2-propenoate Synonym
- Ethyl (E)-3-(4-methoxyphenyl)-2-propenoate Synonym
- (E)-Ethyl 4-methoxycinnamate Synonym
- Ethyl (E)-4-methoxycinnamate Synonym
- Ethyl trans-4-methoxycinnamate Synonym
- Solaboost SPF Synonym
- (2E)-3-(4-Methoxyphenyl)-2-propenoic acid ethyl ester Synonym
- trans-p-Methoxycinnamic acid ethyl ester Synonym
- (E)-Ethyl 3-(4-methoxyphenyl)acrylate Synonym
- Ethyl 4-methoxy-trans-cinnamate Synonym
- (E)-Ethyl 3-(4-methoxyphenyl)acrylate Synonym
- Ethyl (E)-3-(4-methoxyphenyl)acrylate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 206.24 g/mol | CAS Common Chemistry |
| 206.24099999999999 g/mol | RDKit | |
| 206.241 g/mol | RDKit | |
| Canonical SMILES | O=C(OCC)C=CC1=CC=C(OC)C=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C12H14O3/c1-3-15-12(13)9-6-10-4-7-11(14-2)8-5-10/h4-9H,3H2,1-2H3/b9-6+ | CAS Common Chemistry |
| InChI Key | InChIKey=DHNGCHLFKUPGPX-RMKNXTFCSA-N | CAS Common Chemistry |
| Melting Point | 49.5-51 °C @ Solvent: Ligroine | CAS Common Chemistry |
| Name | Ethyl (E)-4-methoxycinnamate | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 35.53 Ų | RDKit |
| LogP | 2.2715000000000005 | RDKit |
| 2.2715 | RDKit | |
| 2.08 | chempirical lib | |
| Molar Refractivity | 58.66100000000004 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.25 | RDKit |
| Exact Mass | 206.094294308 g/mol | RDKit |
| Boiling Point | 120 °C @ 0.3 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 206.24 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C12H14O3.
