2,4-Pentadecadiynoic acid

• Catalog Number: ACM174063991
• Product Name: 2,4-Pentadecadiynoic acid
• CAS: 174063-99-1
• Category: Heterocyclic Organic Compound
• IUPAC Name: pentadeca-2,4-diynoic acid
• Molecular Weight: 234.33g/mol
• Molecular Formula: C15H22O2
• Canonical SMILES: CCCCCCCCCCC#CC#CC(=O)O
• InChI: InChI=1S/C15H22O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h2-10H2,1H3,(H,16,17)
• InChI Key: XRCJABKXJJKZPH-UHFFFAOYSA-N
• Complexity: 329
• Covalently-Bonded Unit Count: 1
• Exact Mass: 234.16198g/mol
• Formal Charge: 0
• H-Bond Acceptor: 2
• H-Bond Donor: 1
• Heavy Atom Count: 17
• Monoisotopic Mass: 234.16198g/mol
• Rotatable Bond Count: 9
• XLogP3: 5.9