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Bis(8-Hydroxyquinolinato)Zinc
CAS: 13978-85-3 | C18H12N2O2Zn
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
13978-85-3
Molecular Formula:
C18H12N2O2Zn
Molecular Mass:
353.70 g/mol
Names and Synonyms:
Bis(8-Hydroxyquinolinato)Zinc
Zinc, bis(8-quinolinolato-κN1,κO8)-, (T-4)-
Zinc, bis(8-quinolinolato)-
Zinc, bis(8-quinolinolato-N1,O8)-, (T-4)-
(T-4)-Bis(8-quinolinolato-κN1,κO8)zinc
Bis(8-quinolinolato)zinc
Zinc 8-quinolinolate
Zinc 8-hydroxyquinolinate
Zinc oxinate
Bis(8-hydroxyquinolinato)zinc
8-Hydroxyquinoline zinc salt
8-Hydroxyquinolinezinc
Zinc bis(8-hydroxyquinolinate)
Identifiers:
SMILES:
[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12.[Zn+2]
InChI:
InChI=1S/2C9H7NO.Zn/c2*11-8-5-1-3-7-4-2-6-10-9(7)8;/h2*1-6,11H;/q;;+2/p-2
Key Properties
Melting Point
>350 °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 | 353.70 g/mol | CAS Common Chemistry |
| 353.69599999999997 g/mol | RDKit | |
| 352.019019824 g/mol | RDKit | |
| Canonical SMILES | [O-]1C2=CC=CC=3C=CC=[N](C23)[Zn+2]14[O-]C5=CC=CC=6C=CC=[N]4C56 | CAS Common Chemistry |
| InChI | InChI=1S/2C9H7NO.Zn/c2*11-8-5-1-3-7-4-2-6-10-9(7)8;/h2*1-6,11H;/q;;+2/p-2 | CAS Common Chemistry |
| InChI Key | InChIKey=HTPBWAPZAJWXKY-UHFFFAOYSA-L | CAS Common Chemistry |
| Melting Point | >350 °C | CAS Common Chemistry |
| Name | Bis(8-hydroxyquinolinato)zinc | CAS Common Chemistry |
| Heavy Atom Count | 23 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 4 | RDKit |
| Topological Polar Surface Area | 71.9 Ų | RDKit |
| LogP | 2.6143 | RDKit |
| Molar Refractivity | 82.37800000000006 | RDKit |
