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Molecule
Disperse Orange 11
CAS: 82-28-0 · C15H11NO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 82-28-0
- Molecular Formula
- C15H11NO2
- Molecular Mass
- 237.26 g/mol
Identifiers
CAS Registry Number
82-28-0
SMILES
Cc1ccc2c(c1N)C(=O)c1ccccc1C2=O
InChI Key
ZLCUIOWQYBYEBG-UHFFFAOYSA-N
InChI
InChI=1S/C15H11NO2/c1-8-6-7-11-12(13(8)16)15(18)10-5-3-2-4-9(10)14(11)17/h2-7H,16H2,1H3
Names and Synonyms
- Disperse Orange 11 Synonym
- 9,10-Anthracenedione, 1-amino-2-methyl- Synonym
- Anthraquinone, 1-amino-2-methyl- Synonym
- C.I. Disperse Orange 11 Synonym
- 1-Amino-2-methyl-9,10-anthracenedione Synonym
- C.I. 60700 Synonym
- Acetate Fast Orange R Synonym
- Acetoquinone Light Orange JL Synonym
- 1-Amino-2-methylanthraquinone Synonym
- Artisil Orange 3RP Synonym
- Celliton Orange R Synonym
- Cilla Orange R Synonym
- Duranol Orange G Synonym
- 2-Methyl-1-anthraquinonylamine Synonym
- Microsetile Orange RA Synonym
- Nyloquinone Orange JR Synonym
- Perliton Orange 3R Synonym
- Serisol Orange YL Synonym
- Supracet Orange R Synonym
- 1-Amino-2-methyl-9,10-anthraquinone Synonym
- Disperse Orange (anthraquinone dye) Synonym
- C.I. Solvent Orange 35 Synonym
- Smoke Orange LK 6044 Synonym
- Disperse Orange 11 Synonym
- Solvent Orange 35 Synonym
- NSC 39943 Synonym
- NSC 667744 Synonym
- DO 11 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 237.26 g/mol | CAS Common Chemistry |
| 237.258 g/mol | RDKit | |
| Canonical SMILES | O=C1C=2C=CC=CC2C(=O)C3=C(N)C(=CC=C13)C | CAS Common Chemistry |
| InChI | InChI=1S/C15H11NO2/c1-8-6-7-11-12(13(8)16)15(18)10-5-3-2-4-9(10)14(11)17/h2-7H,16H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=ZLCUIOWQYBYEBG-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 6-205 °C | CAS Common Chemistry |
| Name | Disperse Orange 11 | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 60.160000000000004 Ų | RDKit |
| 60.16 Ų | RDKit | |
| LogP | 2.352620000000001 | RDKit |
| 2.3526 | RDKit | |
| Molar Refractivity | 68.89840000000002 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0667 | RDKit |
| 0.07 | chempirical lib | |
| Exact Mass | 237.078978592 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
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MW = 237.26 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C15H11NO2.
