(E)-4-Phenyl-3-acetyl-3-butenoic acid ethyl ester

Base Information

• Chemical Name: (E)-4-Phenyl-3-acetyl-3-butenoic acid ethyl ester
• CAS No.: 5435-94-9
• Molecular Formula: C14H16 O3
• Molecular Weight: 232.275
• NSC Number: 21383
• DSSTox Substance ID: DTXSID70417863
• Nikkaji Number: J2.104.575F
• Wikidata: Q82228080
• Mol file: 5435-94-9.mol

Synonyms:NSC21383;5435-94-9;DTXSID70417863;NSC-21383;(E)-4-Phenyl-3-acetyl-3-butenoic acid ethyl ester

Chemical Property of (E)-4-Phenyl-3-acetyl-3-butenoic acid ethyl ester

Chemical Property:

• Vapor Pressure: 6.91E-06mmHg at 25°C
• Boiling Point: 377.1°Cat760mmHg
• Flash Point: 166.9°C
• Density: 1.088g/cm³
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 232.109944368
• Heavy Atom Count: 17
• Complexity: 299

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CC(=CC1=CC=CC=C1)C(=O)C
• Isomeric SMILES: CCOC(=O)C/C(=C\C1=CC=CC=C1)/C(=O)C