O-Anisidine
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CAS Number 90-04-0
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Catalog Number io-1736
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Classification Amines
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Molecular Weight 123.1500
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SMILES COC1=CC=CC=C1N
| Size | QTY | Notes | |
|---|---|---|---|
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o-Anisidine can cause cancer according to an independent committee of scientific and health experts.
| 1 | O-ANISIDINE |
| 2 | 2-Methoxyaniline |
| 3 | 2-Anisidine |
| 4 | 2-Aminoanisole |
| 5 | o-Aminoanisole |
| Molecular Formula | C7H9NO |
|---|---|
| Canonical SMILES | COC1=CC=CC=C1N |
| Isomeric SMILES | COC1=CC=CC=C1N |
| Molecular Weight | 123.1500 |
| InChIKey | VMPITZXILSNTON-UHFFFAOYSA-N |
| InChI | InChI=1S/C7H9NO/c1-9-7-5-3-2-4-6(7)8/h2-5H,8H2,1H3 |
| XLogP | 1.2000 |
| ExactMass | 123.0684 |
| MonoisotopicMass | 123.0684 |
| TPSA | 35.2000 |
| Complexity | 85.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 1 |
| HBondAcceptorCount | 2 |
| RotatableBondCount | 1 |
| HeavyAtomCount | 9 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 19169 |
| PatentFamilyCount | 8205 |
| LiteratureCount | 1070 |
