2-Propenoic acid, 3-[2-(methylamino)-3-pyridinyl]-, (E)-

Base Information

• Chemical Name: 2-Propenoic acid, 3-[2-(methylamino)-3-pyridinyl]-, (E)-
• CAS No.: 118419-94-6
• Molecular Formula: C₉H₁₀N₂O₂
• Molecular Weight: 178.191
• DSSTox Substance ID: DTXSID401201679

Synonyms:2-Propenoic acid, 3-[2-(methylamino)-3-pyridinyl]-, (E)-;DTXSID401201679;118419-94-6

Chemical Property of 2-Propenoic acid, 3-[2-(methylamino)-3-pyridinyl]-, (E)-

Chemical Property:

• XLogP3: 1.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 178.074227566
• Heavy Atom Count: 13
• Complexity: 204

Purity/Quality:

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MSDS Files:

Useful:

• Canonical SMILES: CNC1=C(C=CC=N1)C=CC(=O)O
• Isomeric SMILES: CNC1=C(C=CC=N1)/C=C/C(=O)O

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