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Molecule
8-Hydroxyquinoline-2-Carboxylic Acid
CAS: 1571-30-8 · C10H7NO3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1571-30-8
- Molecular Formula
- C10H7NO3
- Molecular Mass
- 189.17 g/mol
Identifiers
CAS Registry Number
1571-30-8
SMILES
O=C(O)c1ccc2cccc(O)c2n1
InChI Key
UHBIKXOBLZWFKM-UHFFFAOYSA-N
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)
Names and Synonyms
- 8-Hydroxyquinoline-2-Carboxylic Acid Synonym
- 2-Quinolinecarboxylic acid, 8-hydroxy- Synonym
- Quinaldic acid, 8-hydroxy- Synonym
- 8-Hydroxy-2-quinolinecarboxylic acid Synonym
- 8-Hydroxyquinaldic acid Synonym
- 8-Hydroxyquinoline-2-carboxylic acid Synonym
- 2-Carboxy-8-hydroxyquinoline Synonym
- 8-Hydroxyquinaldinic acid Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 189.17 g/mol | CAS Common Chemistry |
| 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 |
| 69.89 Ų | chempirical lib | |
| LogP | 1.6386 | RDKit |
| Molar Refractivity | 50.36710000000001 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 189.042593084 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 = 189.17 g/mol. Edit any field — others recompute live.
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