1,3-Cyclohexadiene-1-carboxylicacid, 4,6-dimethyl-

Base Information

• Chemical Name: 1,3-Cyclohexadiene-1-carboxylicacid, 4,6-dimethyl-
• CAS No.: 307532-23-6
• Molecular Formula: C9H12 O2
• Molecular Weight: 152.19
• DSSTox Substance ID: DTXSID70458635
• Mol file: 307532-23-6.mol

Synonyms:1,3-Cyclohexadiene-1-carboxylicacid, 4,6-dimethyl-;307532-23-6;SCHEMBL14255566;DTXSID70458635

Chemical Property of 1,3-Cyclohexadiene-1-carboxylicacid, 4,6-dimethyl-

Chemical Property:

• Boiling Point: 270.7±19.0 °C(Predicted)
• PKA: 4.89±0.40(Predicted)
• PSA: 37.30000
• Density: 1.077±0.06 g/cm3(Predicted)
• LogP: 1.98350
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 152.083729621
• Heavy Atom Count: 11
• Complexity: 236

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CC(=CC=C1C(=O)O)C