Back to Search
Molecule
2-Methoxycinnamaldehyde
CAS: 1504-74-1 · C10H10O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 1504-74-1
- Molecular Formula
- C10H10O2
- Molecular Mass
- 162.19 g/mol
Identifiers
CAS Registry Number
1504-74-1
SMILES
COc1ccccc1C=CC=O
InChI Key
KKVZAVRSVHUSPL-UHFFFAOYSA-N
InChI
InChI=1S/C10H10O2/c1-12-10-7-3-2-5-9(10)6-4-8-11/h2-8H,1H3
Names and Synonyms
- 2-Methoxycinnamaldehyde Systematic Name
- 2-Propenal, 3-(2-methoxyphenyl)- Synonym
- Cinnamaldehyde, o-methoxy- Synonym
- 3-(2-Methoxyphenyl)-2-propenal Synonym
- o-Methoxycinnamaldehyde Synonym
- 2-Methoxycinnamaldehyde Synonym
- o-Methoxycinnamic aldehyde Synonym
- NSC 114599 Synonym
- 3-(2-Methoxyphenyl)propenal Synonym
- 3-(2-Methoxyphenyl)acrylaldehyde 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 | |
| Canonical SMILES | O=CC=CC=1C=CC=CC1OC | CAS Common Chemistry |
| InChI | InChI=1S/C10H10O2/c1-12-10-7-3-2-5-9(10)6-4-8-11/h2-8H,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=KKVZAVRSVHUSPL-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 44-45 °C | CAS Common Chemistry |
| Name | 2-Methoxycinnamaldehyde | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 26.3 Ų | RDKit |
| LogP | 1.9072999999999998 | RDKit |
| 1.9073 | RDKit | |
| Molar Refractivity | 48.09200000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1 | RDKit |
| Exact Mass | 162.06807956 g/mol | RDKit |
| Boiling Point | 165-167 °C @ 13 Torr | CAS Common Chemistry |
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
Convert
Quick conversion
MW = 162.19 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H10O2.
