C.I. Solvent Yellow 14
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CAS Number 842-07-9
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Catalog Number io-2022
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Classification Azo
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Molecular Weight 248.2800
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SMILES C1=CC=C(C=C1)N=NC2=C(C=CC3=CC=CC=C32)O
| Size | QTY | Notes | |
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C.I. Solvent Yellow 14 can cause cancer according to The National Toxicology Program.
| 1 | Sudan I |
| 2 | Solvent Yellow 14 |
| 3 | 1-Phenylazo-2-naphthol |
| 4 | C.I. Solvent Yellow 14 |
| 5 | 1-(Phenylazo)-2-naphthalenol |
| Molecular Formula | C16H12N2O |
|---|---|
| Canonical SMILES | C1=CC=C(C=C1)N=NC2=C(C=CC3=CC=CC=C32)O |
| Isomeric SMILES | C1=CC=C(C=C1)N=NC2=C(C=CC3=CC=CC=C32)O |
| Molecular Weight | 248.2800 |
| InChIKey | MRQIXHXHHPWVIL-UHFFFAOYSA-N |
| InChI | InChI=1S/C16H12N2O/c19-15-11-10-12-6-4-5-9-14(12)16(15)18-17-13-7-2-1-3-8-13/h1-11,19H |
| XLogP | 4.1000 |
| ExactMass | 248.0950 |
| MonoisotopicMass | 248.0950 |
| TPSA | 45.0000 |
| Complexity | 312.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 1 |
| HBondAcceptorCount | 3 |
| RotatableBondCount | 2 |
| HeavyAtomCount | 19 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 4292 |
| PatentFamilyCount | 2594 |
| LiteratureCount | 245 |
