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Disperse Yellow 54
CAS: 12223-85-7 | C18H11NO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
12223-85-7
Molecular Formula:
C18H11NO3
Molecular Weight:
289.29 g/mol
Names and Synonyms:
Disperse Yellow 54
Common Name
2-(3-Hydroxy-quinolin-2-yl)-indan-1,3-dione
Synonym
Y 54
Synonym
Sumikaron Yellow E-RPD
Synonym
Oil Yellow 54
Synonym
Serilene Yellow 3GL
Synonym
Disperse Yellow 3GE
Synonym
Disperse Yellow E 3GL
Synonym
Disperse Yellow SE 3GE
Synonym
NSC 64849
Synonym
Disperse Yellow E 2G
Synonym
Resolin Yellow 4GL
Synonym
Sandoplast Yellow 2G
Synonym
Macrolex Yellow G
Synonym
Solvent Yellow 114
Synonym
PS Yellow GG
Synonym
Diaresin Yellow HG
Synonym
C.I. Solvent Yellow 114
Synonym
Disperse Yellow F 3G
Synonym
Plast Yellow 8040
Synonym
Miketon Polyester Yellow F 3G
Synonym
Sumiplast Yellow HLR
Synonym
C.I. 47020
Synonym
Palanil Yellow 3GE
Synonym
Kayaset Yellow A-G
Synonym
Teraprint Yellow 2G
Synonym
Tersetile Yellow 3GLE
Synonym
Disperse Yellow 54
Synonym
Latyl Yellow 3G
Synonym
Resiren Yellow TGL
Synonym
Terasil Yellow 2GW
Synonym
Samaron Yellow 3GL
Synonym
Foron Brilliant Yellow E 3GFL
Synonym
Dispersol Fast Yellow T 3G
Synonym
Amacron Yellow L 3G
Synonym
C.I. Disperse Yellow 54
Synonym
2-(3-Hydroxyquinolin-2-yl)-1H-indene-1,3(2H)-dione
Synonym
3-Hydroxyquinophthalone
Synonym
3′-Hydroxyquinophthalone
Synonym
2-(3-Hydroxy-2-quinolinyl)-1H-indene-1,3(2H)-dione
Synonym
1,3-Indandione, 2-(3-hydroxy-2-quinolyl)-
Synonym
1H-Indene-1,3(2H)-dione, 2-(3-hydroxy-2-quinolinyl)-
Synonym
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 |