3-[2-(4-Tert-butylphenoxy)-5-nitrophenyl]prop-2-enoic acid

Base Information

• Chemical Name: 3-[2-(4-Tert-butylphenoxy)-5-nitrophenyl]prop-2-enoic acid
• CAS No.: 175278-48-5
• Molecular Formula: C19H19 N O5
• Molecular Weight: 341.35786
• DSSTox Substance ID: DTXSID40698884
• Mol file: 175278-48-5.mol

Synonyms:175278-48-5;3-[2-(4-tert-butylphenoxy)-5-nitrophenyl]prop-2-enoic acid;SCHEMBL7813829;DTXSID40698884

Chemical Property of 3-[2-(4-Tert-butylphenoxy)-5-nitrophenyl]prop-2-enoic acid

Chemical Property:

• PSA: 92.35000
• LogP: 5.30560
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 341.12632271
• Heavy Atom Count: 25
• Complexity: 497

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1=CC=C(C=C1)OC2=C(C=C(C=C2)[N+](=O)[O-])C=CC(=O)O