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Molecule
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 Mass
- 145.16 g/mol
Identifiers
CAS Registry Number
148-24-3
SMILES
Oc1cccc2cccnc12
InChI Key
MCJGNVYPOGVAJF-UHFFFAOYSA-N
InChI
InChI=1S/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H
Names and Synonyms
- 8-Hydroxyquinoline Synonym
- 8-Quinolinol Synonym
- 8-OQ Synonym
- 8-Hydroxyquinoline Synonym
- Oxin Synonym
- Oxine Synonym
- Oxychinolin Synonym
- 8-Oxyquinoline Synonym
- Tumex Synonym
- 8-Quinol Synonym
- Oxyquinoline Synonym
- Phenopyridine Synonym
- Quinophenol Synonym
- 8-Hydroxychinolin Synonym
- 1-Azanaphthalene-8-ol Synonym
- Fennosan H 30 Synonym
- Albisal Synonym
- Oxoquinoline Synonym
- NSC 2039 Synonym
- NSC 285166 Synonym
- NSC 402623 Synonym
- NSC 48037 Synonym
- NSC 54230 Synonym
- NSC 615011 Synonym
- NSC 82404 Synonym
- NSC 82405 Synonym
- NSC 82409 Synonym
- NSC 82410 Synonym
- NSC 82412 Synonym
- AQ+ Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 145.16 g/mol | CAS Common Chemistry |
| 145.16099999999997 g/mol | RDKit | |
| 145.161 g/mol | RDKit | |
| Density | 1.03 g/cm³ | CAS Common Chemistry |
| 1.034 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/8-Hydroxyquinoline | CAS Common Chemistry |
| Boiling Point | 267 °C (approx) | CAS Common Chemistry |
| Canonical SMILES | OC=1C=CC=C2C=CC=NC12 | CAS Common Chemistry |
| InChI | InChI=1S/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H | CAS Common Chemistry |
| InChI Key | InChIKey=MCJGNVYPOGVAJF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 73-75 °C | CAS Common Chemistry |
| Name | 8-Hydroxyquinoline | CAS Common Chemistry |
| Heavy Atom Count | 11 | 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 | 1.9403999999999995 | RDKit |
| 1.9404 | RDKit | |
| Molar Refractivity | 43.407800000000016 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 145.052763844 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 145.16 g/mol; density = 1.030 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C9H7NO.
