4-(2-Pyridyl)benzaldehyde

• CAS: 127406-56-8
• Catalog Number: ACM127406568-1
• Category: Other Products
• Molecular Weight: 183.21
• Molecular Formula: C12H9NO
• Synonyms: 4-(Pyridin-2-Yl)Benzaldehyde
• IUPAC Name: 4-pyridin-2-ylbenzaldehyde
• Canonical SMILES: C1=CC=NC(=C1)C2=CC=C(C=C2)C=O
• InChI: NMLYGLCBSFKJFI-UHFFFAOYSA-N
• InChI Key: InChI=1S/C12H9NO/c14-9-10-4-6-11(7-5-10)12-3-1-2-8-13-12/h1-9H
• Melting Point: 50-52 °C-lit
• Appearance: Solid
• Complexity: 185
• Covalently-Bonded Unit Count: 1
• Exact Mass: 183.068414g/mol
• Formal Charge: 0
• H-Bond Acceptor: 2
• H-Bond Donor: 0
• Heavy Atom Count: 14
• Isomeric SMILES: C1=CC=NC(=C1)C2=CC=C(C=C2)C=O
• Monoisotopic Mass: 183.068414g/mol
• Rotatable Bond Count: 2
• XLogP3: 2.1