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Inherent Properties, Identifiers and References
ChemSpider ID: 644743
Empirical Formula: C14H19NO5S
Molecular Weight: 313.3694
Nominal Mass: 313 Da
Average Mass: 313.3694 Da
Monoisotopic Mass: 313.098393 Da
Quick Links: Permalink Similar Isomers
Systematic Name: methyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate
SMILES: O=S(=O)(c1ccc(OC)cc1)N2CCC(C(=O)OC)CC2
InChI: InChI=1/C14H19NO5S/c1-19-12-3-5-13(6-4-12)21(17,18)15-9-7-11(8-10​-15)14(16)20-2/h3-6,11H,7-10H2,1-2H3
InChIKey: FUSSYBQNIXEVQA-UHFFFAOYAQ
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  • predicted physchem properties
    • logP: 3.976301000000000e+000
    • logP: 3.976301000000000e+000
    • logP: 4.464200000000000e+000
    • logP: 3.976301000000000e+000
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    • logP: 4.664800999999997e+000
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    • logP: 4.464200000000000e+000
    • logP: 4.664800999999997e+000
    • logP: 2.605000000000000e+000
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    • logP: 3.934900000000000e+000
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    • logP: 8.839000000000000e-001
    • logP: 8.839000000000000e-001
    • logP: 1.969500000000000e+000
    • logP: 8.839000000000000e-001
    • logP: 1.969500000000000e+000
    • logP: 1.618600000000000e+000
    • logP: 8.839000000000000e-001
    • logP: 1.969500000000000e+000
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    • logP: 2.057800000000000e+000
    • logP: 8.839000000000000e-001
    • logP: 1.969500000000000e+000
    • logP: 1.618600000000000e+000
    • logP: 2.057800000000000e+000
    • logP: -2.024600000000000e+000
    • logP: 3.412000000000000e-001
    • logP: 8.839000000000000e-001
    • logP: 1.969500000000000e+000
    • logP: 1.618600000000000e+000
    • logP: 2.057800000000000e+000
    • logP: -2.024600000000000e+000
    • logP: 1.500900000000000e+000
    • logP: 8.839000000000000e-001
    • logP: 1.969500000000000e+000
    • logP: 1.618600000000000e+000
    • logP: 2.057800000000000e+000
    • logP: -2.024600000000000e+000
    • logP: 1.500900000000000e+000
    • logP: 2.483300000000000e+000
    • logP: 8.839000000000000e-001
    • logP: 1.969500000000000e+000
    • logP: 1.618600000000000e+000
    • logP: 2.057800000000000e+000
    • logP: -2.024600000000000e+000
    • logP: 1.500900000000000e+000
    • logP: 2.483300000000000e+000
    • logP: 1.496600000000000e+000
    • logP: 8.839000000000000e-001
    • logP: 1.969500000000000e+000
    • logP: 1.618600000000000e+000
    • logP: 2.057800000000000e+000
    • logP: -2.024600000000000e+000
    • logP: 1.500900000000000e+000
    • logP: 2.483300000000000e+000
    • logP: 1.496600000000000e+000
    • logP: 7.006000000000000e-001
    • logP: 7.006000000000000e-001
    • logP: 2.334000000000000e-001
    • logP: 7.006000000000000e-001