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Molecule
7-Hydroxy-2(1H)-Quinolinone
CAS: 70500-72-0 · C9H7NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 70500-72-0
- Molecular Formula
- C9H7NO2
- Molecular Mass
- 161.16 g/mol
Identifiers
CAS Registry Number
70500-72-0
SMILES
Oc1ccc2ccc(O)nc2c1
InChI Key
DBSPUDKBNOZFMX-UHFFFAOYSA-N
InChI
InChI=1S/C9H7NO2/c11-7-3-1-6-2-4-9(12)10-8(6)5-7/h1-5,11H,(H,10,12)
Names and Synonyms
- 7-Hydroxy-2(1H)-Quinolinone Systematic Name
- 2(1H)-Quinolinone, 7-hydroxy- Synonym
- 7-Hydroxy-2(1H)-quinolinone Synonym
- 7-Hydroxycarbostyril Synonym
- 7-Hydroxy-1H-quinolin-2-one Synonym
- 2,7-Dihydroxyquinoline Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 161.16 g/mol | CAS Common Chemistry |
| 161.15999999999997 g/mol | RDKit | |
| Canonical SMILES | O=C1C=CC=2C=CC(O)=CC2N1 | CAS Common Chemistry |
| InChI | InChI=1S/C9H7NO2/c11-7-3-1-6-2-4-9(12)10-8(6)5-7/h1-5,11H,(H,10,12) | CAS Common Chemistry |
| InChI Key | InChIKey=DBSPUDKBNOZFMX-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 308-315 °C (decomp) @ Solvent: Water | CAS Common Chemistry |
| Name | 7-Hydroxy-2(1H)-quinolinone | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 53.35 Ų | RDKit |
| 52.82 Ų | chempirical lib | |
| LogP | 1.646 | RDKit |
| Molar Refractivity | 45.072600000000016 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 161.047678464 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
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5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
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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 = 161.16 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C9H7NO2.
