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Molecule
Benzophenone, Oxime
CAS: 574-66-3 · C13H11NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 574-66-3
- Molecular Formula
- C13H11NO
- Molecular Mass
- 197.24 g/mol
Identifiers
CAS Registry Number
574-66-3
SMILES
ON=C(c1ccccc1)c1ccccc1
InChI Key
DNYZBFWKVMKMRM-UHFFFAOYSA-N
InChI
InChI=1S/C13H11NO/c15-14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,15H
Names and Synonyms
- Benzophenone, Oxime Systematic Name
- Methanone, diphenyl-, oxime Synonym
- Benzophenone, oxime Synonym
- Diphenyl ketoxime Synonym
- Diphenylmethanone oxime Synonym
- (Diphenylmethylene)hydroxylamine Synonym
- NSC 20724 Synonym
- Benzophenone oxime Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 197.24 g/mol | CAS Common Chemistry |
| 197.237 g/mol | RDKit | |
| Canonical SMILES | ON=C(C=1C=CC=CC1)C=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C13H11NO/c15-14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,15H | CAS Common Chemistry |
| InChI Key | InChIKey=DNYZBFWKVMKMRM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 141 °C | CAS Common Chemistry |
| Name | Benzophenone, oxime | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 32.59 Ų | RDKit |
| LogP | 2.9132000000000016 | RDKit |
| 2.9132 | RDKit | |
| Molar Refractivity | 60.30950000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 197.084063972 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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.
External Resources
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MW = 197.24 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C13H11NO.
