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Cinnamic Acid
CAS: 140-10-3 | C9H8O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
140-10-3
Molecular Formula:
C9H8O2
Molecular Weight:
148.161 g/mol
Names and Synonyms:
Cinnamic Acid
(2E)-3-Phenylprop-2-enoic acid
(E)-3-Phenyl-2-propenoic acid
3-Phenyl-(E)-2-propenoic acid
(2E)-Cinnamic acid
(2E)-2-Phenyl-2-propenoic acid
NSC 44010
(E)-3-Phenylacrylic acid
(E)-Cinnamic acid
trans-Cinnamic acid
(E)-3-Phenylprop-2-enoic acid
trans-3-Phenyl-2-propenoic acid
trans-3-Phenylacrylic acid
trans-β-Carboxystyrene
trans-Cinnamic acid
(2E)-3-Phenyl-2-propenoic acid
2-Propenoic acid, 3-phenyl-, (E)-
Cinnamic acid, (E)-
2-Propenoic acid, 3-phenyl-, (2E)-
Identifiers:
SMILES:
O=C(O)/C=C/c1ccccc1
InChI:
InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6+
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 148.16 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Cinnamic_acid None | Legacy Database |
| cas-boiling-point | 300 °C None | Legacy Database |
| cas-canonical-smile | O=C(O)C=CC=1C=CC=CC1 None | Legacy Database |
| cas-inchi | InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6+ None | Legacy Database |
| cas-inchi-key | InChIKey=WBYWAXJHAXSJNI-VOTSOKGWSA-N None | Legacy Database |
| cas-melting-point | 133 °C None | Legacy Database |
| cas-name | trans-Cinnamic acid None | Legacy Database |
| wikipedia-name | Cinnamic acid None | Legacy Database |
| LogP | 1.7844 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 148.161 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 148.052429496 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 11 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 2 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 37.3 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 43.11180000000002 | RDKit |
