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2-Phenoxybenzaldehyde
CAS: 19434-34-5 | C13H10O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
19434-34-5
Molecular Formula:
C13H10O2
Molecular Mass:
198.22 g/mol
Names and Synonyms:
2-Phenoxybenzaldehyde
Benzaldehyde, 2-phenoxy-
Benzaldehyde, o-phenoxy-
2-Phenoxybenzaldehyde
o-Phenoxybenzaldehyde
Identifiers:
SMILES:
O=Cc1ccccc1Oc1ccccc1
InChI:
InChI=1S/C13H10O2/c14-10-11-6-4-5-9-13(11)15-12-7-2-1-3-8-12/h1-10H
Key Properties
Boiling Point
150-153 °C @ Press: 1 Torr
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 | 198.22 g/mol | CAS Common Chemistry |
| 198.221 g/mol | RDKit | |
| 198.06807956 g/mol | RDKit | |
| Boiling Point | 150-153 °C @ Press: 1 Torr | CAS Common Chemistry |
| Canonical SMILES | O=CC=1C=CC=CC1OC=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C13H10O2/c14-10-11-6-4-5-9-13(11)15-12-7-2-1-3-8-12/h1-10H | CAS Common Chemistry |
| InChI Key | InChIKey=IMPIIVKYTNMBCD-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-Phenoxybenzaldehyde | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 26.3 Ų | RDKit |
| LogP | 3.291400000000002 | RDKit |
| Molar Refractivity | 58.34550000000003 | RDKit |
