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4-(Allyloxy)Benzaldehyde
CAS: 40663-68-1 | C10H10O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
40663-68-1
Molecular Formula:
C10H10O2
Molecular Mass:
162.19 g/mol
Names and Synonyms:
4-(Allyloxy)Benzaldehyde
Benzaldehyde, 4-(2-propen-1-yloxy)-
Benzaldehyde, 4-(2-propenyloxy)-
Benzaldehyde, p-(allyloxy)-
4-(2-Propen-1-yloxy)benzaldehyde
p-(Allyloxy)benzaldehyde
4-(Allyloxy)benzaldehyde
4-(2-Propenyloxy)benzaldehyde
Allyl 4-formylphenyl ether
NSC 44013
Allyl p-formylphenyl ether
4-(Prop-2-enoxy)benzaldehyde
Identifiers:
SMILES:
C=CCOc1ccc(C=O)cc1
InChI:
InChI=1S/C10H10O2/c1-2-7-12-10-5-3-9(8-11)4-6-10/h2-6,8H,1,7H2
Key Properties
Boiling Point
142 °C @ Press: 10 Torr
CAS Common Chemistry
Melting Point
179 °C
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 | |
| Boiling Point | 142 °C @ Press: 10 Torr | CAS Common Chemistry |
| Canonical SMILES | O=CC1=CC=C(OCC=C)C=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C10H10O2/c1-2-7-12-10-5-3-9(8-11)4-6-10/h2-6,8H,1,7H2 | CAS Common Chemistry |
| InChI Key | InChIKey=TYNJQOJWNMZQFZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 179 °C | CAS Common Chemistry |
| Name | 4-(Allyloxy)benzaldehyde | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 26.3 Ų | RDKit |
| LogP | 2.0639000000000003 | RDKit |
| Molar Refractivity | 47.521500000000024 | RDKit |
