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
• DSSTox Substance ID: DTXSID10192884
• Wikidata: Q83065561
• Mol file: 39818-13-8.mol

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

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

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

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