Cycloocta-2,4,6-triene-1-carboxylic acid

Base Information

• Chemical Name: Cycloocta-2,4,6-triene-1-carboxylic acid
• CAS No.: 100162-11-6
• Molecular Formula: C9H10 O2
• Molecular Weight: 150.17
• DSSTox Substance ID: DTXSID60698164
• Mol file: 100162-11-6.mol

Synonyms:Cycloocta-2,4,6-triene-1-carboxylic acid;DTXSID60698164

Chemical Property of Cycloocta-2,4,6-triene-1-carboxylic acid

Chemical Property:

• Boiling Point: 300.8±11.0 °C(Predicted)
• PKA: 4.23±0.20(Predicted)
• PSA: 37.30000
• Density: 1.120±0.06 g/cm3(Predicted)
• LogP: 1.75950
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 150.068079557
• Heavy Atom Count: 11
• Complexity: 224

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C=CC=CC=CC1C(=O)O