Calicene

Base Information

• Chemical Name: Calicene
• CAS No.: 6249-23-6
• Molecular Formula: C8H6
• Molecular Weight: 102.13
• UNII: 23W88U3WAK
• DSSTox Substance ID: DTXSID60486629
• Nikkaji Number: J13.228D
• Wikidata: Q21099672
• Wikipedia: Calicene
• Mol file: 6249-23-6.mol

Synonyms:Calicene;6249-23-6;5-(2-Cyclopropen-1-ylidene)-1,3-cyclopentadiene;Triapentafulvene;Pentatriafulvalene;23W88U3WAK;DTXSID60486629;5-(2-Cyclopropen-1-ylidene)cyclopentadiene;Cyclopentadiene, 5-(2-cyclopropen-1-ylidene)-;5-(Cycloprop-2-en-1-ylidene)cyclopenta-1,3-diene;1,3-Cyclopentadiene, 5-(2-cyclopropen-1-ylidene)-;Q21099672

Chemical Property of Calicene

Chemical Property:

• Boiling Point: 191.2±7.0 °C(Predicted)
• PSA: 0.00000
• Density: 1.204±0.06 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: 202

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C2C=C2)C=C1