Back to Search
2(1H)-Quinolinone, 4-Hydroxy-, Sodium Salt (1:1)
CAS: 4510-76-3 | C9H7NNaO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
4510-76-3
Molecular Formula:
C9H7NNaO2
Molecular Mass:
184.15 g/mol
Names and Synonyms:
2(1H)-Quinolinone, 4-Hydroxy-, Sodium Salt (1:1)
2(1H)-Quinolinone, 4-hydroxy-, sodium salt (1:1)
Carbostyril, 4-hydroxy-, monosodium salt
2(1H)-Quinolinone, 4-hydroxy-, monosodium salt
Sodium, [(1,2-dihydro-2-oxo-4-quinolyl)oxy]-
2,4-Quinolinediol monosodium salt
Identifiers:
SMILES:
Oc1cc(O)c2ccccc2n1.[Na]
InChI:
InChI=1S/C9H7NO2.Na/c11-8-5-9(12)10-7-4-2-1-3-6(7)8;/h1-5H,(H2,10,11,12);
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 | 184.15 g/mol | CAS Common Chemistry |
| 184.14999999999998 g/mol | RDKit | |
| 184.037447744 g/mol | RDKit | |
| Canonical SMILES | [Na].O=C1C=C(O)C=2C=CC=CC2N1 | CAS Common Chemistry |
| InChI | InChI=1S/C9H7NO2.Na/c11-8-5-9(12)10-7-4-2-1-3-6(7)8;/h1-5H,(H2,10,11,12); | CAS Common Chemistry |
| InChI Key | InChIKey=RGNUXAOWDXDIFX-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2(1H)-Quinolinone, 4-hydroxy-, sodium salt (1:1) | CAS Common Chemistry |
| Heavy Atom Count | 13 | 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 |
| LogP | 1.2651999999999992 | RDKit |
| Molar Refractivity | 50.82660000000002 | RDKit |
