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Molecule
8-Quinolinol, Lithium Salt (1:1)
CAS: 850918-68-2 · C9H7LiNO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 850918-68-2
- Molecular Formula
- C9H7LiNO
- Molecular Mass
- 152.10 g/mol
Identifiers
CAS Registry Number
850918-68-2
SMILES
Oc1cccc2cccnc12.[Li]
InChI Key
SKEDXQSRJSUMRP-UHFFFAOYSA-N
InChI
InChI=1S/C9H7NO.Li/c11-8-5-1-3-7-4-2-6-10-9(7)8;/h1-6,11H;
Names and Synonyms
- 8-Quinolinol, Lithium Salt (1:1) Systematic Name
- 8-Quinolinol, lithium salt (1:1) Synonym
- Lithium, (8-quinolinolato)- Synonym
- 8-Quinolinol, lithium salt Synonym
- 8-Quinolinol lithium complex Synonym
- (8-Quinolinolato)lithium Synonym
- Lithium 8-quinolinolate Synonym
- Lithium 8-hydroxyquinolinate Synonym
- Lithium quinolate Synonym
- Lithium 8-hydroxyquinolate(1-) Synonym
- 8-Hydroxyquinoline lithium Synonym
- (8-Hydroxyquinolinato)lithium Synonym
- Lithium 8-hydroxyquinolinolato Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 152.10 g/mol | CAS Common Chemistry |
| 152.10199999999998 g/mol | RDKit | |
| 152.102 g/mol | RDKit | |
| 153.11 g/mol | chempirical lib | |
| Canonical SMILES | [Li].OC=1C=CC=C2C=CC=NC12 | CAS Common Chemistry |
| InChI | InChI=1S/C9H7NO.Li/c11-8-5-1-3-7-4-2-6-10-9(7)8;/h1-6,11H; | CAS Common Chemistry |
| InChI Key | InChIKey=SKEDXQSRJSUMRP-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 8-Quinolinol, lithium salt (1:1) | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 33.120000000000005 Ų | RDKit |
| 33.12 Ų | RDKit | |
| 32.59 Ų | chempirical lib | |
| LogP | 1.5595999999999994 | RDKit |
| 1.5596 | RDKit | |
| Molar Refractivity | 49.161800000000014 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 152.068768394 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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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 = 152.10 g/mol. Edit any field — others recompute live.
