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1,3-Benzodioxole-5-carboxylic acid, 7-(((1,3-benzodioxol-5-ylcarbonyl)oxy)methyl)-2,3,5,7a-tetrahydro-1H-pyrrolizin-1-yl ester, (1R-trans)-

Base Information
  • Chemical Name:1,3-Benzodioxole-5-carboxylic acid, 7-(((1,3-benzodioxol-5-ylcarbonyl)oxy)methyl)-2,3,5,7a-tetrahydro-1H-pyrrolizin-1-yl ester, (1R-trans)-
  • CAS No.:39818-13-8
  • Molecular Formula:C24H21 N O8
  • Molecular Weight:0
  • Hs Code.:
  • DSSTox Substance ID:DTXSID10192884
  • Wikidata:Q83065561
  • Mol file:39818-13-8.mol
1,3-Benzodioxole-5-carboxylic acid, 7-(((1,3-benzodioxol-5-ylcarbonyl)oxy)methyl)-2,3,5,7a-tetrahydro-1H-pyrrolizin-1-yl ester, (1R-trans)-

Synonyms:Retronecine-7,9-piperonylate;39818-13-8;1,3-Benzodioxole-5-carboxylic acid, 7-(((1,3-benzodioxol-5-ylcarbonyl)oxy)methyl)-2,3,5,7a-tetrahydro-1H-pyrrolizin-1-yl ester, (1R-trans)-;DTXSID10192884

Suppliers and Price of 1,3-Benzodioxole-5-carboxylic acid, 7-(((1,3-benzodioxol-5-ylcarbonyl)oxy)methyl)-2,3,5,7a-tetrahydro-1H-pyrrolizin-1-yl ester, (1R-trans)-
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Chemical Property of 1,3-Benzodioxole-5-carboxylic acid, 7-(((1,3-benzodioxol-5-ylcarbonyl)oxy)methyl)-2,3,5,7a-tetrahydro-1H-pyrrolizin-1-yl ester, (1R-trans)-
Chemical Property:
  • Vapor Pressure:2.38E-15mmHg at 25°C 
  • Boiling Point:621.1°Cat760mmHg 
  • Flash Point:329.4°C 
  • PSA:92.76000 
  • Density:1.5g/cm3 
  • LogP:2.47860 
  • XLogP3:2.8
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:9
  • Rotatable Bond Count:7
  • Exact Mass:451.12671663
  • Heavy Atom Count:33
  • Complexity:801
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MSDS Files:

SDS file from LookChem

Useful:
  • Canonical SMILES:C1CN2CC=C(C2C1OC(=O)C3=CC4=C(C=C3)OCO4)COC(=O)C5=CC6=C(C=C5)OCO6
  • Isomeric SMILES:C1CN2CC=C([C@@H]2[C@@H]1OC(=O)C3=CC4=C(C=C3)OCO4)COC(=O)C5=CC6=C(C=C5)OCO6
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