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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 Mass
- 289.29 g/mol
Identifiers
CAS Registry Number
75216-45-4
SMILES
O=C1c2ccccc2C(=O)C1c1nc2ccccc2cc1O
InChI Key
FDTLQXNAPKJJAM-UHFFFAOYSA-N
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
Names and Synonyms
- Disperse Yellow 54 Common Name
- 1H-Indene-1,3(2H)-dione, 2-(3-hydroxy-2-quinolinyl)- Synonym
- 1,3-Indandione, 2-(3-hydroxy-2-quinolyl)- Synonym
- 2-(3-Hydroxy-2-quinolinyl)-1H-indene-1,3(2H)-dione Synonym
- 3′-Hydroxyquinophthalone Synonym
- 3-Hydroxyquinophthalone Synonym
- 2-(3-Hydroxyquinolin-2-yl)-1H-indene-1,3(2H)-dione Synonym
- C.I. Disperse Yellow 54 Synonym
- Amacron Yellow L 3G Synonym
- Dispersol Fast Yellow T 3G Synonym
- Foron Brilliant Yellow E 3GFL Synonym
- Samaron Yellow 3GL Synonym
- Terasil Yellow 2GW Synonym
- Resiren Yellow TGL Synonym
- Latyl Yellow 3G Synonym
- Disperse Yellow 54 Synonym
- Tersetile Yellow 3GLE Synonym
- Teraprint Yellow 2G Synonym
- Kayaset Yellow A-G Synonym
- Palanil Yellow 3GE Synonym
- C.I. 47020 Synonym
- Sumiplast Yellow HLR Synonym
- Miketon Polyester Yellow F 3G Synonym
- Plast Yellow 8040 Synonym
- Disperse Yellow F 3G Synonym
- C.I. Solvent Yellow 114 Synonym
- Diaresin Yellow HG Synonym
- PS Yellow GG Synonym
- Solvent Yellow 114 Synonym
- Macrolex Yellow G Synonym
- Sandoplast Yellow 2G Synonym
- Resolin Yellow 4GL Synonym
- Disperse Yellow E 2G Synonym
- NSC 64849 Synonym
- Disperse Yellow SE 3GE Synonym
- Disperse Yellow E 3GL Synonym
- Disperse Yellow 3GE Synonym
- Serilene Yellow 3GL Synonym
- Oil Yellow 54 Synonym
- Sumikaron Yellow E-RPD Synonym
- Y 54 Synonym
- 2-(3-Hydroxy-quinolin-2-yl)-indan-1,3-dione Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 289.29 g/mol | CAS Common Chemistry |
| Canonical SMILES | O=C1C=2C=CC=CC2C(=O)C1C3=NC=4C=CC=CC4C=C3O | CAS Common Chemistry |
| 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 | CAS Common Chemistry |
| InChI Key | InChIKey=FDTLQXNAPKJJAM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 265 °C | CAS Common Chemistry |
| Name | Disperse Yellow 54 | CAS Common Chemistry |
| Heavy Atom Count | 22 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 67.26 Ų | RDKit |
| 66.73 Ų | chempirical lib | |
| LogP | 3.1032000000000015 | RDKit |
| 3.1032 | RDKit | |
| Molar Refractivity | 81.25180000000002 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0556 | RDKit |
| 0.06 | chempirical lib | |
| Exact Mass | 289.07389321200003 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
160
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
Related
Related molecules
Other compounds with formula C18H11NO3.
