Back to Search
Furil, Dioxime
CAS: 522-27-0 | C10H8N2O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
522-27-0
Molecular Formula:
C10H8N2O4
Molecular Mass:
220.18 g/mol
Names and Synonyms:
Furil, Dioxime
1,2-Ethanedione, 1,2-di-2-furanyl-, 1,2-dioxime
Furil, dioxime
Ethanedione, di-2-furanyl-, dioxime
Di-2-furylglyoxime
α-Furil dioxime
Bis(2-furyl)glyoxime
NSC 5055
Identifiers:
SMILES:
ON=C(C(=NO)c1ccco1)c1ccco1
InChI:
InChI=1S/C10H8N2O4/c13-11-9(7-3-1-5-15-7)10(12-14)8-4-2-6-16-8/h1-6,13-14H
Key Properties
Melting Point
167 °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 | 220.18 g/mol | CAS Common Chemistry |
| 220.184 g/mol | RDKit | |
| 220.048406736 g/mol | RDKit | |
| Canonical SMILES | ON=C(C=1OC=CC1)C(=NO)C=2OC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C10H8N2O4/c13-11-9(7-3-1-5-15-7)10(12-14)8-4-2-6-16-8/h1-6,13-14H | CAS Common Chemistry |
| InChI Key | InChIKey=RBOZTFPIXJBLPK-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 167 °C | CAS Common Chemistry |
| Name | Furil, dioxime | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 91.46000000000001 Ų | RDKit |
| LogP | 1.9294 | RDKit |
| Molar Refractivity | 54.06300000000002 | RDKit |
