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Molecule
Cinnamic Acid
CAS: 140-10-3 · C9H8O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 140-10-3
- Molecular Formula
- C9H8O2
- Molecular Mass
- 148.16 g/mol
Identifiers
CAS Registry Number
140-10-3
SMILES
O=C(O)/C=C/c1ccccc1
InChI Key
WBYWAXJHAXSJNI-VOTSOKGWSA-N
InChI
InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6+
Names and Synonyms
- Cinnamic Acid Common Name
- 2-Propenoic acid, 3-phenyl-, (2E)- Synonym
- Cinnamic acid, (E)- Synonym
- 2-Propenoic acid, 3-phenyl-, (E)- Synonym
- (2E)-3-Phenyl-2-propenoic acid Synonym
- trans-Cinnamic acid Synonym
- trans-β-Carboxystyrene Synonym
- trans-3-Phenylacrylic acid Synonym
- trans-3-Phenyl-2-propenoic acid Synonym
- (E)-3-Phenylprop-2-enoic acid Synonym
- trans-Cinnamic acid Synonym
- (E)-Cinnamic acid Synonym
- (E)-3-Phenylacrylic acid Synonym
- NSC 44010 Synonym
- (2E)-2-Phenyl-2-propenoic acid Synonym
- (2E)-Cinnamic acid Synonym
- 3-Phenyl-(E)-2-propenoic acid Synonym
- (E)-3-Phenyl-2-propenoic acid Synonym
- (2E)-3-Phenylprop-2-enoic acid Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 148.16 g/mol | CAS Common Chemistry |
| 148.161 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Cinnamic_acid | CAS Common Chemistry |
| Boiling Point | 300 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(O)C=CC=1C=CC=CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6+ | CAS Common Chemistry |
| InChI Key | InChIKey=WBYWAXJHAXSJNI-VOTSOKGWSA-N | CAS Common Chemistry |
| Melting Point | 133 °C | CAS Common Chemistry |
| Name | trans-Cinnamic acid | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 37.3 Ų | RDKit |
| LogP | 1.7844 | RDKit |
| Molar Refractivity | 43.11180000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 148.052429496 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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MW = 148.16 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C9H8O2.
