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2-(Allyloxy)Benzaldehyde
CAS: 28752-82-1 | C10H10O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
28752-82-1
Molecular Formula:
C10H10O2
Molecular Mass:
162.19 g/mol
Names and Synonyms:
2-(Allyloxy)Benzaldehyde
Benzaldehyde, 2-(2-propen-1-yloxy)-
Benzaldehyde, o-(allyloxy)-
Benzaldehyde, 2-(2-propenyloxy)-
2-(2-Propen-1-yloxy)benzaldehyde
2-(Allyloxy)benzaldehyde
o-(Allyloxy)benzaldehyde
2-(2-Propenyloxy)benzaldehyde
O-Allylsalicylaldehyde
NSC 406724
Allyl o-formylphenyl ether
2-Prop-2-enoxybenzaldehyde
Identifiers:
SMILES:
C=CCOc1ccccc1C=O
InChI:
InChI=1S/C10H10O2/c1-2-7-12-10-6-4-3-5-9(10)8-11/h2-6,8H,1,7H2
Key Properties
Boiling Point
130 °C @ Press: 10 Torr
CAS Common Chemistry
Density
1.09 g/cm³
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 |
| 162.18799999999996 g/mol | RDKit | |
| 162.06807956 g/mol | RDKit | |
| Density | 1.09 g/cm³ | CAS Common Chemistry |
| 1.0938 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 130 °C @ Press: 10 Torr | CAS Common Chemistry |
| Canonical SMILES | O=CC=1C=CC=CC1OCC=C | CAS Common Chemistry |
| InChI | InChI=1S/C10H10O2/c1-2-7-12-10-6-4-3-5-9(10)8-11/h2-6,8H,1,7H2 | CAS Common Chemistry |
| InChI Key | InChIKey=BXCJDECTRRMSCV-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-(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 |
