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Molecule
2-(Allyloxy)Benzaldehyde
CAS: 28752-82-1 · C10H10O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 28752-82-1
- Molecular Formula
- C10H10O2
- Molecular Mass
- 162.19 g/mol
Identifiers
CAS Registry Number
28752-82-1
SMILES
C=CCOc1ccccc1C=O
InChI Key
BXCJDECTRRMSCV-UHFFFAOYSA-N
InChI
InChI=1S/C10H10O2/c1-2-7-12-10-6-4-3-5-9(10)8-11/h2-6,8H,1,7H2
Names and Synonyms
- 2-(Allyloxy)Benzaldehyde Systematic Name
- Benzaldehyde, 2-(2-propen-1-yloxy)- Synonym
- Benzaldehyde, o-(allyloxy)- Synonym
- Benzaldehyde, 2-(2-propenyloxy)- Synonym
- 2-(2-Propen-1-yloxy)benzaldehyde Synonym
- 2-(Allyloxy)benzaldehyde Synonym
- o-(Allyloxy)benzaldehyde Synonym
- 2-(2-Propenyloxy)benzaldehyde Synonym
- O-Allylsalicylaldehyde Synonym
- NSC 406724 Synonym
- Allyl o-formylphenyl ether Synonym
- 2-Prop-2-enoxybenzaldehyde Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 162.19 g/mol | CAS Common Chemistry |
| 162.18799999999996 g/mol | RDKit | |
| 162.188 g/mol | RDKit | |
| Density | 1.09 g/cm³ | CAS Common Chemistry |
| 1.0938 g/cm3 @ 20 °C | 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 |
| 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 | 130 °C @ 10 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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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 = 162.19 g/mol; density = 1.090 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H10O2.
