4-Benzyloxy-alpha-cyanocinnamic acid

Base Information

• Chemical Name: 4-Benzyloxy-alpha-cyanocinnamic acid
• CAS No.: 162882-36-2
• Molecular Formula: C17H13 N O3
• Molecular Weight: 279.29
• European Community (EC) Number: 621-006-5
• Nikkaji Number: J3.658.082H
• Mol file: 162882-36-2.mol

Synonyms:4-Benzyloxy-alpha-cyanocinnamic acid;162882-36-2;4-BENZYLOXY-ALPHA-CYANOCINNAMICACID;(E)-2-cyano-3-(4-phenylmethoxyphenyl)prop-2-enoic acid;SCHEMBL24845094;CCG-48922;AKOS000142032;AS-69785;J3.658.082H;2-Cyano-3-[4-(benzyloxy)phenyl]propenoic acid;3-[4-(benzyloxy)phenyl]-2-cyanoprop-2-enoic acid;SR-01000638417-1;(2E)-3-[4-(BENZYLOXY)PHENYL]-2-CYANOPROP-2-ENOIC ACID

Chemical Property of 4-Benzyloxy-alpha-cyanocinnamic acid

Chemical Property:

• Vapor Pressure: 1.86E-10mmHg at 25°C
• Melting Point: 199-202 °C
• Refractive Index: 1.642
• Boiling Point: 491°C at 760 mmHg
• PKA: 0.80±0.10(Predicted)
• Flash Point: 250.7°C
• Density: 1.272g/cm³
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 279.08954328
• Heavy Atom Count: 21
• Complexity: 421

Purity/Quality:

97% ^*data from raw suppliers

3-(4-BENZYLOXY-PHENYL)-2-CYANO-ACRYLIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 20/21/22
• Safety Statements: 36/37

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)COC2=CC=C(C=C2)C=C(C#N)C(=O)O
• Isomeric SMILES: C1=CC=C(C=C1)COC2=CC=C(C=C2)/C=C(\C#N)/C(=O)O