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8-Quinolinol, Lithium Salt (1:1)
CAS: 850918-68-2 | C9H7LiNO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
850918-68-2
Molecular Formula:
C9H7LiNO
Molecular Weight:
152.10199999999998 g/mol
Names and Synonyms:
8-Quinolinol, Lithium Salt (1:1)
Lithium 8-hydroxyquinolinolato
(8-Hydroxyquinolinato)lithium
8-Hydroxyquinoline lithium
Lithium 8-hydroxyquinolate(1-)
Lithium quinolate
Lithium 8-hydroxyquinolinate
Lithium 8-quinolinolate
(8-Quinolinolato)lithium
8-Quinolinol lithium complex
8-Quinolinol, lithium salt
Lithium, (8-quinolinolato)-
8-Quinolinol, lithium salt (1:1)
Identifiers:
SMILES:
Oc1cccc2cccnc12.[Li]
InChI:
InChI=1S/C9H7NO.Li/c11-8-5-1-3-7-4-2-6-10-9(7)8;/h1-6,11H;
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
| Category | Property | Value | Source |
|---|---|---|---|
| Molecular | Molecular Weight | 152.10199999999998 g/mol | RDKit |
| Exact | Exact Molecular Weight | 152.068768394 g/mol | RDKit |
| Heavy | Heavy Atom Count | 12 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit | |
| Rotatable | Rotatable Bonds | 0 count | RDKit |
| Aromatic | Aromatic Ring Count | 2 count | RDKit |
| Topological | Topological Polar Surface Area | 33.120000000000005 Ų | RDKit |
| Physical Properties | LogP | 1.5595999999999994 | RDKit |
| molecular_mass | 152.10 g/mol | Legacy Database | |
| cas-canonical-smile | [Li].OC=1C=CC=C2C=CC=NC12 | Legacy Database | |
| cas-inchi | InChI=1S/C9H7NO.Li/c11-8-5-1-3-7-4-2-6-10-9(7)8;/h1-6,11H; | Legacy Database | |
| cas-inchi-key | InChIKey=SKEDXQSRJSUMRP-UHFFFAOYSA-N | Legacy Database | |
| cas-name | 8-Quinolinol, lithium salt (1:1) | Legacy Database | |
| Molar | Molar Refractivity | 49.161800000000014 | RDKit |
