Nicotine salicylate
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CAS Number 29790-52-1
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Catalog Number io-406803
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Molecular Weight 300.3500
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SMILES CN1CCCC1C2=CN=CC=C2.C1=CC=C(C(=C1)C(=O)O)O
| Size | QTY | Notes | |
|---|---|---|---|
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No description available for this item
| 1 | Nicotine salicylate |
| 2 | Eudermol |
| 3 | Nicotine Monosalicylate |
| 4 | UNII-744Q1CL77H |
| 5 | 744Q1CL77H |
| Molecular Formula | C17H20N2O3 |
|---|---|
| Canonical SMILES | CN1CCCC1C2=CN=CC=C2.C1=CC=C(C(=C1)C(=O)O)O |
| Isomeric SMILES | CN1CCC[C@H]1C2=CN=CC=C2.C1=CC=C(C(=C1)C(=O)O)O |
| Molecular Weight | 300.3500 |
| InChIKey | AIBWPBUAKCMKNS-PPHPATTJSA-N |
| InChI | InChI=1S/C10H14N2.C7H6O3/c1-12-7-3-5-10(12)9-4-2-6-11-8-9;8-6-4-2-1-3-5(6)7(9)10/h2,4,6,8,10H,3,5,7H2,1H3;1-4,8H,(H,9,10)/t10-;/m0./s1 |
| XLogP | 0.0000 |
| ExactMass | 300.1474 |
| MonoisotopicMass | 300.1474 |
| TPSA | 73.7000 |
| Complexity | 280.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 2 |
| HBondAcceptorCount | 5 |
| RotatableBondCount | 2 |
| HeavyAtomCount | 22 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 1 |
| DefinedAtomStereoCount | 1 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 2 |
| PatentCount | 1380 |
| PatentFamilyCount | 421 |
| LiteratureCount | 26 |
