7,8-(Methylenedioxy)-14-hydroxyberbane

Base Information

• Chemical Name: 7,8-(Methylenedioxy)-14-hydroxyberbane
• CAS No.: 104786-63-2
• Molecular Formula: C18H23 N O3 . Cl H
• Molecular Weight: 337.8411
• DSSTox Substance ID: DTXSID50909211
• Mol file: 104786-63-2.mol

Synonyms:7,8-(methylenedioxy)-14 alpha-hydroxyalloberbane HCl;7,8-(methylenedioxy)-14-hydroxyberbane;CH 38083;CH-38083

Chemical Property of 7,8-(Methylenedioxy)-14-hydroxyberbane

Chemical Property:

• Vapor Pressure: 5.04E-09mmHg at 25°C
• Boiling Point: 453.8°Cat760mmHg
• Flash Point: 228.2°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 337.1444713
• Heavy Atom Count: 23
• Complexity: 431

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2CN3CCC4=CC5=C(C=C4C3CC2CC1O)OCO5.Cl
• Isomeric SMILES: C1C[C@@H]2CN3CCC4=CC5=C(C=C4[C@@H]3C[C@@H]2C[C@H]1O)OCO5.Cl

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