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Molecule
Diphenylglyoxime
CAS: 23873-81-6 · C14H12N2O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 23873-81-6
- Molecular Formula
- C14H12N2O2
- Molecular Mass
- 240.26 g/mol
Identifiers
CAS Registry Number
23873-81-6
SMILES
ON=C(C(=NO)c1ccccc1)c1ccccc1
InChI Key
JJZONEUCDUQVGR-UHFFFAOYSA-N
InChI
InChI=1S/C14H12N2O2/c17-15-13(11-7-3-1-4-8-11)14(16-18)12-9-5-2-6-10-12/h1-10,17-18H
Names and Synonyms
- Diphenylglyoxime Common Name
- 1,2-Ethanedione, 1,2-diphenyl-, 1,2-dioxime Synonym
- Benzil, dioxime Synonym
- Ethanedione, diphenyl-, dioxime Synonym
- Glyoxime, diphenyl- Synonym
- Benzil oxime Synonym
- Diphenylglyoxime Synonym
- Dibenzoyl dioxime Synonym
- NSC 4042 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 240.26 g/mol | CAS Common Chemistry |
| 240.26200000000003 g/mol | RDKit | |
| 240.262 g/mol | RDKit | |
| Canonical SMILES | ON=C(C=1C=CC=CC1)C(=NO)C=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C14H12N2O2/c17-15-13(11-7-3-1-4-8-11)14(16-18)12-9-5-2-6-10-12/h1-10,17-18H | CAS Common Chemistry |
| InChI Key | InChIKey=JJZONEUCDUQVGR-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 240 °C | CAS Common Chemistry |
| Name | Diphenylglyoxime | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 65.18 Ų | RDKit |
| LogP | 2.743400000000001 | RDKit |
| 2.7434 | RDKit | |
| Molar Refractivity | 69.53100000000002 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 240.089877624 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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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 = 240.26 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C14H12N2O2.
