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8-Hydroxyquinoline
CAS: 148-24-3 | C9H7NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
148-24-3
Molecular Formula:
C9H7NO
Molecular Weight:
145.16099999999997 g/mol
Names and Synonyms:
8-Hydroxyquinoline
8-Quinolinol
8-OQ
8-Hydroxyquinoline
Oxin
Oxine
Oxychinolin
8-Oxyquinoline
Tumex
8-Quinol
Oxyquinoline
Phenopyridine
Quinophenol
8-Hydroxychinolin
1-Azanaphthalene-8-ol
Fennosan H 30
Albisal
Oxoquinoline
NSC 2039
NSC 285166
NSC 402623
NSC 48037
NSC 54230
NSC 615011
NSC 82404
NSC 82405
NSC 82409
NSC 82410
NSC 82412
AQ+
Identifiers:
SMILES:
Oc1cccc2cccnc12
InChI:
InChI=1S/C9H7NO/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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 145.16099999999997 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 145.052763844 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 11 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 2 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 33.120000000000005 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 1.9403999999999995 | RDKit |
| molecular_mass | 145.16 g/mol | Legacy Database |
| density | 1.03 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/8-Hydroxyquinoline None | Legacy Database |
| cas-boiling-point | 267 °C (approx) None | Legacy Database |
| cas-canonical-smile | OC=1C=CC=C2C=CC=NC12 None | Legacy Database |
| cas-density | 1.034 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H None | Legacy Database |
| cas-inchi-key | InChIKey=MCJGNVYPOGVAJF-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 73-75 °C None | Legacy Database |
| cas-name | 8-Hydroxyquinoline None | Legacy Database |
| wikipedia-name | 8-Hydroxyquinoline None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 43.407800000000016 | RDKit |
