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Molecule
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
Identifiers
CAS Registry Number
13978-85-3
SMILES
[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12.[Zn+2]
InChI Key
HTPBWAPZAJWXKY-UHFFFAOYSA-L
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
Names and Synonyms
- Bis(8-Hydroxyquinolinato)Zinc Common Name
- Zinc, bis(8-quinolinolato-κN1,κO8)-, (T-4)- Synonym
- Zinc, bis(8-quinolinolato)- Synonym
- Zinc, bis(8-quinolinolato-N1,O8)-, (T-4)- Synonym
- (T-4)-Bis(8-quinolinolato-κN1,κO8)zinc Synonym
- Bis(8-quinolinolato)zinc Synonym
- Zinc 8-quinolinolate Synonym
- Zinc 8-hydroxyquinolinate Synonym
- Zinc oxinate Synonym
- Bis(8-hydroxyquinolinato)zinc Synonym
- 8-Hydroxyquinoline zinc salt Synonym
- 8-Hydroxyquinolinezinc Synonym
- Zinc bis(8-hydroxyquinolinate) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 353.70 g/mol | CAS Common Chemistry |
| 353.69599999999997 g/mol | RDKit | |
| 353.696 g/mol | RDKit | |
| 357.718 g/mol | chempirical lib | |
| 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 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 352.019019824 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| 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.
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MW = 353.70 g/mol. Edit any field — others recompute live.
