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8-Hydroxyquinoline-2-Carboxylic Acid
CAS: 1571-30-8 | C10H7NO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1571-30-8
Molecular Formula:
C10H7NO3
Molecular Mass:
189.17 g/mol
Names and Synonyms:
8-Hydroxyquinoline-2-Carboxylic Acid
2-Quinolinecarboxylic acid, 8-hydroxy-
Quinaldic acid, 8-hydroxy-
8-Hydroxy-2-quinolinecarboxylic acid
8-Hydroxyquinaldic acid
8-Hydroxyquinoline-2-carboxylic acid
2-Carboxy-8-hydroxyquinoline
8-Hydroxyquinaldinic acid
Identifiers:
SMILES:
O=C(O)c1ccc2cccc(O)c2n1
InChI:
InChI=1S/C10H7NO3/c12-8-3-1-2-6-4-5-7(10(13)14)11-9(6)8/h1-5,12H,(H,13,14)
Key Properties
Melting Point
190-200 °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 | 189.17 g/mol | CAS Common Chemistry |
| 189.042593084 g/mol | RDKit | |
| Canonical SMILES | O=C(O)C=1N=C2C(O)=CC=CC2=CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C10H7NO3/c12-8-3-1-2-6-4-5-7(10(13)14)11-9(6)8/h1-5,12H,(H,13,14) | CAS Common Chemistry |
| InChI Key | InChIKey=UHBIKXOBLZWFKM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 190-200 °C | CAS Common Chemistry |
| Name | 8-Hydroxyquinoline-2-carboxylic acid | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 70.42 Ų | RDKit |
| LogP | 1.6386 | RDKit |
| Molar Refractivity | 50.36710000000001 | RDKit |
