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6-Phenylhexanoic acid

Catalog Number ACM5581759
CAS 5581-75-9
Structure {[CurrentData.Name]}
IUPAC Name 6-phenylhexanoic acid
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
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
Log P 3.27 (LogP)
Monoisotopic Mass 192.115029749g/mol
NSC Number 66179
Rotatable Bond Count 6
Topological Polar Surface Area 37.3Ų
UNII 43U2R7T4EC
X Log P3 3.3
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