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6-Hydroxy-3,4-Dihydro-2(1H)-Quinolinone
CAS: 54197-66-9 | C9H9NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
54197-66-9
Molecular Formula:
C9H9NO2
Molecular Mass:
163.18 g/mol
Names and Synonyms:
6-Hydroxy-3,4-Dihydro-2(1H)-Quinolinone
2(1H)-Quinolinone, 3,4-dihydro-6-hydroxy-
Carbostyril, 3,4-dihydro-6-hydroxy-
Hydrocarbostyril, 6-hydroxy-
3,4-Dihydro-6-hydroxy-2(1H)-quinolinone
6-Hydroxy-3,4-dihydrocarbostyril
6-Hydroxy-1,2,3,4-tetrahydro-2-quinolinone
3,4-Dihydro-6-hydroxycarbostyril
6-Hydroxy-2-oxo-1,2,3,4-tetrahydroquinoline
6-Hydroxy-3,4-dihydro-2(1H)-quinolinone
6-Hydroxy-3,4-dihydro-1H-quinolin-2-one
2-Oxo-1,2,3,4-tetrahydroquinolin-6-ol
3,4-Dihydroquinoline-2,6-diol
Identifiers:
SMILES:
O=C1CCc2cc(O)ccc2N1
InChI:
InChI=1S/C9H9NO2/c11-7-2-3-8-6(5-7)1-4-9(12)10-8/h2-3,5,11H,1,4H2,(H,10,12)
Key Properties
Melting Point
230 °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 | 163.18 g/mol | CAS Common Chemistry |
| 163.176 g/mol | RDKit | |
| 163.063328528 g/mol | RDKit | |
| Canonical SMILES | O=C1NC2=CC=C(O)C=C2CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C9H9NO2/c11-7-2-3-8-6(5-7)1-4-9(12)10-8/h2-3,5,11H,1,4H2,(H,10,12) | CAS Common Chemistry |
| InChI Key | InChIKey=HOSGXJWQVBHGLT-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 230 °C | CAS Common Chemistry |
| Name | 6-Hydroxy-3,4-dihydro-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 | 1 | RDKit |
| Topological Polar Surface Area | 49.33 Ų | RDKit |
| LogP | 1.2769 | RDKit |
| Molar Refractivity | 45.05750000000002 | RDKit |
