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Methyl Cinnamate
CAS: 103-26-4 | C10H10O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
103-26-4
Molecular Formula:
C10H10O2
Molecular Mass:
162.19 g/mol
Names and Synonyms:
Methyl Cinnamate
2-Propenoic acid, 3-phenyl-, methyl ester
Cinnamic acid, methyl ester
Methyl cinnamate
Methyl cinnamylate
Methyl 3-phenylpropenoate
Methyl 3-phenyl-2-propenoate
Methyl 3-phenylacrylate
3-Phenyl-2-propenoic acid methyl ester
3-Phenylacrylic acid methyl ester
NSC 9411
SemaSORB 9815
Identifiers:
SMILES:
COC(=O)C=Cc1ccccc1
InChI:
InChI=1S/C10H10O2/c1-12-10(11)8-7-9-5-3-2-4-6-9/h2-8H,1H3
Key Properties
Boiling Point
260.4 °C
CAS Common Chemistry
Melting Point
36 °C
CAS Common Chemistry
Density
1.07 g/cm³
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 | 162.19 g/mol | CAS Common Chemistry |
| 162.188 g/mol | RDKit | |
| 162.06807956 g/mol | RDKit | |
| Density | 1.07 g/cm³ | CAS Common Chemistry |
| 1.0672 g/cm3 @ Temp: 15 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Methyl_cinnamate | CAS Common Chemistry |
| Boiling Point | 260.4 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(OC)C=CC=1C=CC=CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C10H10O2/c1-12-10(11)8-7-9-5-3-2-4-6-9/h2-8H,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=CCRCUPLGCSFEDV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 36 °C | CAS Common Chemistry |
| Name | Methyl cinnamate | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 26.3 Ų | RDKit |
| LogP | 1.8728 | RDKit |
| Molar Refractivity | 47.492000000000026 | RDKit |
