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6-Hydroxy-2(1H)-Quinolinone
CAS: 19315-93-6 | C9H7NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
19315-93-6
Molecular Formula:
C9H7NO2
Molecular Mass:
161.16 g/mol
Names and Synonyms:
6-Hydroxy-2(1H)-Quinolinone
6-Hydroxyquinolin-2-one
2(1H)-Quinolinone, 6-hydroxy-
2,6-Quinolinediol
6-Hydroxy-2(1H)-quinolinone
6-Hydroxycarbostyril
2,6-Dihydroxyquinoline
6-Hydroxy-1H-quinolin-2-one
Identifiers:
SMILES:
O=c1ccc2cc(O)ccc2[nH]1
InChI:
InChI=1S/C9H7NO2/c11-7-2-3-8-6(5-7)1-4-9(12)10-8/h1-5,11H,(H,10,12)
Key Properties
Melting Point
328-332 °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 | 161.16 g/mol | CAS Common Chemistry |
| 161.047678464 g/mol | RDKit | |
| Canonical SMILES | O=C1C=CC=2C=C(O)C=CC2N1 | CAS Common Chemistry |
| InChI | InChI=1S/C9H7NO2/c11-7-2-3-8-6(5-7)1-4-9(12)10-8/h1-5,11H,(H,10,12) | CAS Common Chemistry |
| InChI Key | InChIKey=AQLYZDRHNHZHIS-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 328-332 °C | CAS Common Chemistry |
| Name | 6-Hydroxy-2(1H)-quinolinone | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 53.089999999999996 Ų | RDKit |
| LogP | 1.2336999999999998 | RDKit |
| Molar Refractivity | 46.233500000000014 | RDKit |
