Benzo[h]quinoline

• CAS: 230-27-3
• Catalog Number: ACM230273-1
• Category: Quinolines
• Molecular Weight: 179.22
• Molecular Formula: C13H9N
• Synonyms: 1-Naphthoquinoline;7,8-Benzoquinoline
• IUPAC Name: benzo[h]quinoline
• Canonical SMILES: C1=CC=C2C(=C1)C=CC3=C2N=CC=C3
• InChI: WZJYKHNJTSNBHV-UHFFFAOYSA-N
• InChI Key: InChI=1S/C13H9N/c1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)12/h1-9H
• Boiling Point: 339.0 °C
• Melting Point: 48-50 °C-lit
• Appearance: Dark yellow crystalline
• Complexity: 201
• Covalently-Bonded Unit Count: 1
• EC Number: 205-937-0
• Exact Mass: 179.073499g/mol
• Formal Charge: 0
• H-Bond Acceptor: 1
• H-Bond Donor: 0
• Heavy Atom Count: 14
• Isomeric SMILES: C1=CC=C2C(=C1)C=CC3=C2N=CC=C3
• LogP: 3.43 (LogP)
• Monoisotopic Mass: 179.073499g/mol
• NSC Number: 16033
• Rotatable Bond Count: 0
• UNII: 8KWJ7WT6Y7
• Vapor Pressure: 2.18e-04 mmHg
• XLogP3: 3.4