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Phenyl 2-Pyridyl Ketoxime
CAS: 1826-28-4 | C12H10N2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1826-28-4
Molecular Formula:
C12H10N2O
Molecular Mass:
198.22 g/mol
Names and Synonyms:
Phenyl 2-Pyridyl Ketoxime
Methanone, phenyl-2-pyridinyl-, oxime
Ketone, phenyl 2-pyridyl, oxime
Phenyl 2-pyridyl ketoxime
2-Benzoylpyridine ketoxime
Phenyl(2-pyridinyl)methanone oxime
2-Benzoylpyridine oxime
NSC 53389
Phenyl 2-pyridyl ketone oxime
Identifiers:
SMILES:
ON=C(c1ccccc1)c1ccccn1
InChI:
InChI=1S/C12H10N2O/c15-14-12(10-6-2-1-3-7-10)11-8-4-5-9-13-11/h1-9,15H
Key Properties
Melting Point
150-152 °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 | 198.22 g/mol | CAS Common Chemistry |
| 198.225 g/mol | RDKit | |
| 198.07931294 g/mol | RDKit | |
| Canonical SMILES | ON=C(C1=NC=CC=C1)C=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C12H10N2O/c15-14-12(10-6-2-1-3-7-10)11-8-4-5-9-13-11/h1-9,15H | CAS Common Chemistry |
| InChI Key | InChIKey=RSJDEVMJZLLAHS-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 150-152 °C | CAS Common Chemistry |
| Name | Phenyl 2-pyridyl ketoxime | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 45.480000000000004 Ų | RDKit |
| LogP | 2.3082000000000003 | RDKit |
| Molar Refractivity | 58.10450000000002 | RDKit |
