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Molecule
4-(Allyloxy)Benzaldehyde
CAS: 40663-68-1 · C10H10O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 40663-68-1
- Molecular Formula
- C10H10O2
- Molecular Mass
- 162.19 g/mol
Identifiers
CAS Registry Number
40663-68-1
SMILES
C=CCOc1ccc(C=O)cc1
InChI Key
TYNJQOJWNMZQFZ-UHFFFAOYSA-N
InChI
InChI=1S/C10H10O2/c1-2-7-12-10-5-3-9(8-11)4-6-10/h2-6,8H,1,7H2
Names and Synonyms
- 4-(Allyloxy)Benzaldehyde Systematic Name
- Benzaldehyde, 4-(2-propen-1-yloxy)- Synonym
- Benzaldehyde, 4-(2-propenyloxy)- Synonym
- Benzaldehyde, p-(allyloxy)- Synonym
- 4-(2-Propen-1-yloxy)benzaldehyde Synonym
- p-(Allyloxy)benzaldehyde Synonym
- 4-(Allyloxy)benzaldehyde Synonym
- 4-(2-Propenyloxy)benzaldehyde Synonym
- Allyl 4-formylphenyl ether Synonym
- NSC 44013 Synonym
- Allyl p-formylphenyl ether Synonym
- 4-(Prop-2-enoxy)benzaldehyde 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=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 |
| 2.0639 | RDKit | |
| Molar Refractivity | 47.521500000000024 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 | 142 °C @ 10 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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 = 162.19 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H10O2.
