2-Cyano-3-pyridin-3-ylprop-2-enoic acid

Base Information

• Chemical Name: 2-Cyano-3-pyridin-3-ylprop-2-enoic acid
• CAS No.: 103029-74-9
• Molecular Formula: C9H6N2O2
• Molecular Weight: 174.16
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID90377117
• Mol file: 103029-74-9.mol

Synonyms:2-Propenoic acid,2-cyano-3-(3-pyridinyl)-;2-cyano-3-pyridin-3-ylprop-2-enoic acid;SCHEMBL9835951;DTXSID90377117;SJDCYAGLGBTHKD-UHFFFAOYSA-N;2-cyano-3-(3-pyridyl)acrylic acid;FT-0642514

Chemical Property of 2-Cyano-3-pyridin-3-ylprop-2-enoic acid

Chemical Property:

• Vapor Pressure: 7.01E-06mmHg at 25°C
• Melting Point: 195oC
• Boiling Point: 362.2 °C at 760 mmHg
• Flash Point: 172.9 °C
• PSA: 73.98000
• Density: 1.361 g/cm³
• LogP: 1.07318
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 174.042927438
• Heavy Atom Count: 13
• Complexity: 275

Purity/Quality:

98%min ^*data from raw suppliers

2-Cyano-3-(3-pyridinyl)acrylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CN=C1)C=C(C#N)C(=O)O