Pentalene

Base Information

• Chemical Name: Pentalene
• CAS No.: 250-25-9
• Molecular Formula: C8H6
• Molecular Weight: 102.13
• UNII: E5A3KT7S2A
• DSSTox Substance ID: DTXSID70420115
• Nikkaji Number: J502.697K
• Wikipedia: Pentalene
• Wikidata: Q3554979
• Metabolomics Workbench ID: 54803
• Mol file: 250-25-9.mol

Synonyms:pentalene;250-25-9;E5A3KT7S2A;Bicyclo(3.3.0)octatetraene;Bicyclo(3.3.0)octane, octadehydro-;UNII-E5A3KT7S2A;CHEBI:33074;DTXSID70420115;AKOS024437737;Q3554979

Chemical Property of Pentalene

Chemical Property:

• Boiling Point: 308.9±9.0 °C(Predicted)
• PSA: 0.00000
• Density: 1.06±0.1 g/cm3(Predicted)
• LogP: 1.97880
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 102.0469501914
• Heavy Atom Count: 8
• Complexity: 174

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=CC=CC2=C1