Back to Search
6-Quinolinecarboxylic Acid
CAS: 10349-57-2 | C10H7NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
10349-57-2
Molecular Formula:
C10H7NO2
Molecular Mass:
173.17 g/mol
Names and Synonyms:
6-Quinolinecarboxylic Acid
6-Quinolinecarboxylic acid
6-Carboxyquinoline
Identifiers:
SMILES:
O=C(O)c1ccc2ncccc2c1
InChI:
InChI=1S/C10H7NO2/c12-10(13)8-3-4-9-7(6-8)2-1-5-11-9/h1-6H,(H,12,13)
Key Properties
Melting Point
291 °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 | 173.17 g/mol | CAS Common Chemistry |
| 173.171 g/mol | RDKit | |
| 173.047678464 g/mol | RDKit | |
| Canonical SMILES | O=C(O)C1=CC=C2N=CC=CC2=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C10H7NO2/c12-10(13)8-3-4-9-7(6-8)2-1-5-11-9/h1-6H,(H,12,13) | CAS Common Chemistry |
| InChI Key | InChIKey=VXGYRCVTBHVXMZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 291 °C | CAS Common Chemistry |
| Name | 6-Quinolinecarboxylic acid | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 50.19 Ų | RDKit |
| LogP | 1.9329999999999998 | RDKit |
| Molar Refractivity | 48.70230000000002 | RDKit |
