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Molecule
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
Identifiers
CAS Registry Number
1826-28-4
SMILES
ON=C(c1ccccc1)c1ccccn1
InChI Key
RSJDEVMJZLLAHS-UHFFFAOYSA-N
InChI
InChI=1S/C12H10N2O/c15-14-12(10-6-2-1-3-7-10)11-8-4-5-9-13-11/h1-9,15H
Names and Synonyms
- Phenyl 2-Pyridyl Ketoxime Synonym
- Methanone, phenyl-2-pyridinyl-, oxime Synonym
- Ketone, phenyl 2-pyridyl, oxime Synonym
- Phenyl 2-pyridyl ketoxime Synonym
- 2-Benzoylpyridine ketoxime Synonym
- Phenyl(2-pyridinyl)methanone oxime Synonym
- 2-Benzoylpyridine oxime Synonym
- NSC 53389 Synonym
- Phenyl 2-pyridyl ketone oxime Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 198.22 g/mol | CAS Common Chemistry |
| 198.225 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 |
| 45.48 Ų | RDKit | |
| 44.95 Ų | chempirical lib | |
| LogP | 2.3082000000000003 | RDKit |
| 2.3082 | RDKit | |
| Molar Refractivity | 58.10450000000002 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 198.07931294 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
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5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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 = 198.22 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C12H10N2O.
