Bicyclo[2.1.1]hexan-2-one

Base Information

• Chemical Name: Bicyclo[2.1.1]hexan-2-one
• CAS No.: 5164-64-7
• Molecular Formula: C6H8O
• Molecular Weight: 96.1289
• European Community (EC) Number: 877-860-6
• DSSTox Substance ID: DTXSID60467135
• Nikkaji Number: J1.520.902J
• Wikidata: Q82293937
• Mol file: 5164-64-7.mol

Synonyms:Bicyclo[2.1.1]hexan-2-one;5164-64-7;Bicyclo[2.1.1]hexane-2-one;DTXSID60467135;MFCD11055239;PB42960;(1s,4s)-bicyclo[2.1.1]hexan-2-one;PS-16577;CS-0309615;EN300-105619;P20286;EN300-7550002

Chemical Property of Bicyclo[2.1.1]hexan-2-one

Chemical Property:

• XLogP3: 0.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 96.057514874
• Heavy Atom Count: 7
• Complexity: 111

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1C2CC1C(=O)C2