6-Phenylhexanoic acid

• Catalog Number: ACM5581759
• Product Name: 6-Phenylhexanoic acid
• CAS: 5581-75-9
• Category: Heterocyclic Organic Compound
• Synonyms: 6-Phenylhexanoic acid;5581-75-9;Benzenehexanoic acid;UNII-43U2R7T4EC;MFCD00014381;43U2R7T4EC;6-Phenylcaproic acid;phenyl hexanoic acid;6-phenyl-hexanoic acid;ACMC-1AP1S;6-Phenylhexanoic acid, 98%;SCHEMBL503837;DTXSID90204398;ALBB-023695;BCP24350;NSC66179;STR08043;ZINC1693228;ANW-32408;NSC-66179;SBB071719;AKOS009158917;MCULE-8701939268;DB-052807;FT-0621303;P1108;R1298;ST45026882;Q27258669
• IUPAC Name: 6-phenylhexanoic acid
• Molecular Weight: 192.25g/mol
• Molecular Formula: C12H16O2
• Canonical SMILES: C1=CC=C(C=C1)CCCCCC(=O)O
• InChI: InChI=1S/C12H16O2/c13-12(14)10-6-2-5-9-11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2,(H,13,14)
• InChI Key: JTXZPQIXIXYMDY-UHFFFAOYSA-N
• Melting Point: 23.0 °C
• Solubility: 0.00 M
• Complexity: 160
• Covalently-Bonded Unit Count: 1
• Exact Mass: 192.115029749g/mol
• Heavy Atom Count: 14
• Hydrogen Bond Acceptor Count: 2
• LogP: 3.27 (LogP)
• Monoisotopic Mass: 192.115029749g/mol
• NSC Number: 66179
• Rotatable Bond Count: 6
• Topological Polar Surface Area: 37.3Ų
• UNII: 43U2R7T4EC
• XLogP3: 3.3