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Disperse Yellow 54
CAS: 75216-45-4 | C18H11NO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
75216-45-4
Molecular Formula:
C18H11NO3
Molecular Weight:
289.29 g/mol
Names and Synonyms:
Disperse Yellow 54
2-(3-Hydroxy-quinolin-2-yl)-indan-1,3-dione
Y 54
Sumikaron Yellow E-RPD
Oil Yellow 54
Serilene Yellow 3GL
Disperse Yellow 3GE
Disperse Yellow E 3GL
Disperse Yellow SE 3GE
NSC 64849
Disperse Yellow E 2G
Resolin Yellow 4GL
Sandoplast Yellow 2G
Macrolex Yellow G
Solvent Yellow 114
PS Yellow GG
Diaresin Yellow HG
C.I. Solvent Yellow 114
Disperse Yellow F 3G
Plast Yellow 8040
Miketon Polyester Yellow F 3G
Sumiplast Yellow HLR
C.I. 47020
Palanil Yellow 3GE
Kayaset Yellow A-G
Teraprint Yellow 2G
Tersetile Yellow 3GLE
Disperse Yellow 54
Latyl Yellow 3G
Resiren Yellow TGL
Terasil Yellow 2GW
Samaron Yellow 3GL
Foron Brilliant Yellow E 3GFL
Dispersol Fast Yellow T 3G
Amacron Yellow L 3G
C.I. Disperse Yellow 54
2-(3-Hydroxyquinolin-2-yl)-1H-indene-1,3(2H)-dione
3-Hydroxyquinophthalone
3′-Hydroxyquinophthalone
2-(3-Hydroxy-2-quinolinyl)-1H-indene-1,3(2H)-dione
1,3-Indandione, 2-(3-hydroxy-2-quinolyl)-
1H-Indene-1,3(2H)-dione, 2-(3-hydroxy-2-quinolinyl)-
Identifiers:
SMILES:
O=C1c2ccccc2C(=O)C1c1nc2ccccc2cc1O
InChI:
InChI=1S/C18H11NO3/c20-14-9-10-5-1-4-8-13(10)19-16(14)15-17(21)11-6-2-3-7-12(11)18(15)22/h1-9,15,20H
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 289.29 g/mol | Legacy Database |
| cas-canonical-smile | O=C1C=2C=CC=CC2C(=O)C1C3=NC=4C=CC=CC4C=C3O None | Legacy Database |
| cas-inchi | InChI=1S/C18H11NO3/c20-14-9-10-5-1-4-8-13(10)19-16(14)15-17(21)11-6-2-3-7-12(11)18(15)22/h1-9,15,20H None | Legacy Database |
| cas-inchi-key | InChIKey=FDTLQXNAPKJJAM-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 265 °C None | Legacy Database |
| cas-name | Disperse Yellow 54 None | Legacy Database |
| LogP | 3.1032000000000015 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 289.29 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 289.07389321200003 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 22 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 4 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 3 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 67.26 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 81.25180000000002 | RDKit |
