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3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, (2,2-dimethyl-1,3-oxathiolan-5-yl)methyl methyl ester

Base Information
  • Chemical Name:3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, (2,2-dimethyl-1,3-oxathiolan-5-yl)methyl methyl ester
  • CAS No.:108914-36-9
  • Molecular Formula:C22H26 N2 O7 S
  • Molecular Weight:462.516
  • Hs Code.:
  • DSSTox Substance ID:DTXSID60910919
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, (2,2-dimethyl-1,3-oxathiolan-5-yl)methyl methyl ester

Synonyms:SR 1411;108914-36-9;3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, (2,2-dimethyl-1,3-oxathiolan-5-yl)methyl methyl ester;C22H26N2O7S;DTXSID60910919;C22-H26-N2-O7-S;LS-131276;(2,2-Dimethyl-1,3-oxathiolan-5-yl)methyl methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

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Chemical Property of 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, (2,2-dimethyl-1,3-oxathiolan-5-yl)methyl methyl ester
Chemical Property:
  • Vapor Pressure:4.41E-15mmHg at 25°C 
  • Boiling Point:615.5°C at 760 mmHg 
  • Flash Point:326°C 
  • Density:1.263g/cm3 
  • XLogP3:3.6
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:9
  • Rotatable Bond Count:7
  • Exact Mass:462.14607235
  • Heavy Atom Count:32
  • Complexity:846
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MSDS Files:

SDS file from LookChem

Useful:
  • Canonical SMILES:CC1=C(C(C(=C(N1)C)C(=O)OCC2CSC(O2)(C)C)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC
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