10,12-Heptadecadiynoic acid

• CAS: 28393-06-8
• Catalog Number: ACM28393068
• Category: Other Products
• Molecular Weight: 262.4g/mol
• Molecular Formula: C17H26O2
• IUPAC Name: heptadeca-10,12-diynoic acid
• Canonical SMILES: CCCCC#CC#CCCCCCCCCC(=O)O
• InChI: InChI=1S/C17H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h2-4,9-16H2,1H3,(H,18,19)
• InChI Key: CLTRJQSBWDSZHN-UHFFFAOYSA-N
• Complexity: 356
• Covalently-Bonded Unit Count: 1
• Exact Mass: 262.19328g/mol
• Formal Charge: 0
• H-Bond Acceptor: 2
• H-Bond Donor: 1
• Heavy Atom Count: 19
• Monoisotopic Mass: 262.19328g/mol
• Rotatable Bond Count: 11
• XLogP3: 5.8