4-(3,4-Dimethoxyphenyl)but-3-ene-1,2-diol

Base Information

• Chemical Name: 4-(3,4-Dimethoxyphenyl)but-3-ene-1,2-diol
• CAS No.: 164661-12-5
• Molecular Formula: C12H16O4
• Molecular Weight: 224.3
• Hs Code.: 2909499000
• DSSTox Substance ID: DTXSID30702242
• Wikidata: Q72468265
• Mol file: 164661-12-5.mol

Synonyms:4-(3,4-Dimethoxyphenyl)but-3-ene-1,2-diol;DTXSID30702242

Chemical Property of 4-(3,4-Dimethoxyphenyl)but-3-ene-1,2-diol

Chemical Property:

• Boiling Point: 422.3±45.0 °C(Predicted)
• PKA: 13.35±0.20(Predicted)
• PSA: 58.92000
• Density: 1.178±0.06 g/cm3(Predicted)
• LogP: 1.07020
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 224.10485899
• Heavy Atom Count: 16
• Complexity: 217

Purity/Quality:

98%min ^*data from raw suppliers

4-(3,4-Dimethoxyphenyl)-3-Butene-1,2-Diol 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)C=CC(CO)O)OC