beta-Isocomene

Base Information

• Chemical Name: beta-Isocomene
• CAS No.: 71596-72-0
• Molecular Formula: C₁₅H₂₄
• Molecular Weight: 204.356
• Nikkaji Number: J462.601J
• Wikidata: Q105144259

Synonyms:(+-)-beta-Isocomene;beta-isocomene;71596-72-0;Cyclopenta(c)pentalene, decahydro-1,3a,5a-trimethyl-4-methylene-, (1alpha,3aalpha,5abeta,8aR*)-(+-)-;.beta.-Isocomene;(?)-beta-Isocomene;KPKLYXVMHOVJJL-UQOMUDLDSA-N

Chemical Property of beta-Isocomene

Chemical Property:

• Melting Point: 76-82 °C
• Boiling Point: 255.5±7.0 °C(Predicted)
• Density: 0.94±0.1 g/cm3(Predicted)
• XLogP3: 5.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 204.187800766
• Heavy Atom Count: 15
• Complexity: 329

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: CC1CCC2(C13CCCC3(CC2=C)C)C
• Isomeric SMILES: C[C@@H]1CC[C@@]2([C@]13CCC[C@]3(CC2=C)C)C

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