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Molecule
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
Identifiers
CAS Registry Number
103-26-4
SMILES
COC(=O)C=Cc1ccccc1
InChI Key
CCRCUPLGCSFEDV-UHFFFAOYSA-N
InChI
InChI=1S/C10H10O2/c1-12-10(11)8-7-9-5-3-2-4-6-9/h2-8H,1H3
Names and Synonyms
- Methyl Cinnamate Synonym
- 2-Propenoic acid, 3-phenyl-, methyl ester Synonym
- Cinnamic acid, methyl ester Synonym
- Methyl cinnamate Synonym
- Methyl cinnamylate Synonym
- Methyl 3-phenylpropenoate Synonym
- Methyl 3-phenyl-2-propenoate Synonym
- Methyl 3-phenylacrylate Synonym
- 3-Phenyl-2-propenoic acid methyl ester Synonym
- 3-Phenylacrylic acid methyl ester Synonym
- NSC 9411 Synonym
- SemaSORB 9815 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 162.19 g/mol | CAS Common Chemistry |
| 162.188 g/mol | RDKit | |
| Density | 1.07 g/cm³ | CAS Common Chemistry |
| 1.0672 g/cm3 @ 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 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1 | RDKit |
| Exact Mass | 162.06807956 g/mol | RDKit |
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
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Quick conversion
MW = 162.19 g/mol; density = 1.070 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H10O2.
