1-N-Octylpyrrole

• CAS: 50966-65-9
• Catalog Number: ACM50966659
• Category: Other Products
• Molecular Weight: 179.3g/mol
• Molecular Formula: C12H21N
• IUPAC Name: 1-octylpyrrole
• Canonical SMILES: CCCCCCCCN1C=CC=C1
• InChI: InChI=1S/C12H21N/c1-2-3-4-5-6-7-10-13-11-8-9-12-13/h8-9,11-12H,2-7,10H2,1H3
• InChI Key: AXCMRJJCPRARIT-UHFFFAOYSA-N
• Complexity: 106
• Covalently-Bonded Unit Count: 1
• Exact Mass: 179.1674g/mol
• Formal Charge: 0
• H-Bond Acceptor: 0
• H-Bond Donor: 0
• Heavy Atom Count: 13
• Monoisotopic Mass: 179.1674g/mol
• Rotatable Bond Count: 7
• XLogP3: 4