Bicyclo[2.2.2]octa-5,7-diene-2-carboxylic acid

Base Information

• Chemical Name: Bicyclo[2.2.2]octa-5,7-diene-2-carboxylic acid
• CAS No.: 70209-68-6
• Molecular Formula: C9H10O2
• Molecular Weight: 150.1745
• DSSTox Substance ID: DTXSID00500878
• Nikkaji Number: J275.753B
• Mol file: 70209-68-6.mol

Synonyms:70209-68-6;BICYCLO[2.2.2]OCTA-5,7-DIENE-2-CARBOXYLIC ACID;DTXSID00500878;Bicyclo[2.2.2]octa-5,7-diene-2-carboxylic acid(9ci)

Chemical Property of Bicyclo[2.2.2]octa-5,7-diene-2-carboxylic acid

Chemical Property:

• Melting Point: 53 °C
• Boiling Point: 293.8±29.0 °C(Predicted)
• PKA: 4.38±0.20(Predicted)
• PSA: 37.30000
• Density: 1.233±0.06 g/cm3(Predicted)
• LogP: 1.44930
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 150.068079557
• Heavy Atom Count: 11
• Complexity: 226

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2C=CC(C1C(=O)O)C=C2