(E)-3-(2,4-dimethoxy-5-nitrophenyl)prop-2-enoic acid

Base Information

• Chemical Name: (E)-3-(2,4-dimethoxy-5-nitrophenyl)prop-2-enoic acid
• CAS No.: 7507-94-0
• Molecular Formula: C11H11NO6
• Molecular Weight: 253.2081
• NSC Number: 401449
• DSSTox Substance ID: DTXSID90419642
• Wikidata: Q82230764
• Mol file: 7507-94-0.mol

Synonyms:NSC401449;7507-94-0;DTXSID90419642;NSC-401449

Chemical Property of (E)-3-(2,4-dimethoxy-5-nitrophenyl)prop-2-enoic acid

Chemical Property:

• Vapor Pressure: 2.05E-10mmHg at 25°C
• Boiling Point: 490°C at 760 mmHg
• Flash Point: 250.1°C
• Density: 1.369g/cm³
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 253.05863707
• Heavy Atom Count: 18
• Complexity: 337

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=C(C=C1C=CC(=O)O)[N+](=O)[O-])OC
• Isomeric SMILES: COC1=CC(=C(C=C1/C=C/C(=O)O)[N+](=O)[O-])OC