Back to Search
8-Hydroxyquinoline-5-Sulfonic Acid
CAS: 84-88-8 | C9H7NO4S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
84-88-8
Molecular Formula:
C9H7NO4S
Molecular Mass:
225.23 g/mol
Names and Synonyms:
8-Hydroxyquinoline-5-Sulfonic Acid
5-Quinolinesulfonic acid, 8-hydroxy-
8-Hydroxyquinoline-5-sulfonic acid
8-Hydroxy-5-quinolinesulfonic acid
5-Sulfo-8-hydroxyquinoline
Oxine-5-sulfonic acid
5-Sulfooxine
8-Quinolinol-5-sulfonic acid
5-Sulfo-8-quinolinol
Sulfoxine
8-Oxyquinoline-5-sulfonic acid
8-Hydroxy-5-sulfoquinoline
NSC 105877
NSC 13139
NSC 220049
HQSA
8-Hydroxylquinoline-5-sulfonic acid
Identifiers:
SMILES:
O=S(=O)(O)c1ccc(O)c2ncccc12
InChI:
InChI=1S/C9H7NO4S/c11-7-3-4-8(15(12,13)14)6-2-1-5-10-9(6)7/h1-5,11H,(H,12,13,14)
Key Properties
Melting Point
322.5 °C
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 225.23 g/mol | CAS Common Chemistry |
| 225.225 g/mol | RDKit | |
| 225.009578704 g/mol | RDKit | |
| Canonical SMILES | O=S(=O)(O)C=1C=CC(O)=C2N=CC=CC21 | CAS Common Chemistry |
| InChI | InChI=1S/C9H7NO4S/c11-7-3-4-8(15(12,13)14)6-2-1-5-10-9(6)7/h1-5,11H,(H,12,13,14) | CAS Common Chemistry |
| InChI Key | InChIKey=LGDFHDKSYGVKDC-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 322.5 °C | CAS Common Chemistry |
| Name | 8-Hydroxyquinoline-5-sulfonic acid | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 87.49000000000001 Ų | RDKit |
| LogP | 1.1871 | RDKit |
| Molar Refractivity | 53.22240000000002 | RDKit |
