2245084-40-4

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2245084-40-4 Structure

Identification	Back Directory
[Name] 2245084-40-4
[CAS] 2245084-40-4
[Synonyms] tert-Butyl 5-oxo-5,7-dihydrospiro[cyclopenta[b]pyridine-6,4'-piperidine]-1'-carboxylate Spiro[6H-cyclopenta[b]pyridine-6,4'-piperidine]-1'-carboxylic acid, 5,7-dihydro-5-oxo-, 1,1-dimethylethyl ester
[Molecular Formula] C17H22N2O3
[MDL Number] MFCD32173167
[MOL File] 2245084-40-4.mol
[Molecular Weight] 302.37

Chemical Properties	Back Directory
[Boiling point ] 439.8±45.0 °C(Predicted)
[density ] 1.21±0.1 g/cm3(Predicted)
[pka] 2.83±0.20(Predicted)
[InChI] InChI=1S/C17H22N2O3/c1-16(2,3)22-15(21)19-9-6-17(7-10-19)11-13-12(14(17)20)5-4-8-18-13/h4-5,8H,6-7,9-11H2,1-3H3
[InChIKey] IIEMEFZYFPCYBC-UHFFFAOYSA-N
[SMILES] C12CC3(CCN(C(OC(C)(C)C)=O)CC3)C(=O)C1=CC=CN=2

Spectrum Detail	Back Directory
[Spectrum Detail] 2245084-40-4(2245084-40-4)¹HNMR

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