Cas no 374782-39-5 (Benzoic acid, 4-[(4R)-4-[4-(2-methylpropyl)phenyl]pentyl]-)

Benzoic acid, 4-[(4R)-4-[4-(2-methylpropyl)phenyl]pentyl]- structure
374782-39-5 structure
Product Name:Benzoic acid, 4-[(4R)-4-[4-(2-methylpropyl)phenyl]pentyl]-
CAS No:374782-39-5
MF:C22H28O2
MW:324.456526756287
CID:1484040
Update Time:2024-08-24

Benzoic acid, 4-[(4R)-4-[4-(2-methylpropyl)phenyl]pentyl]- Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid, 4-[(4R)-4-[4-(2-methylpropyl)phenyl]pentyl]-
    • Inchi： 1S/C22H28O2/c1-16(2)15-19-9-11-20(12-10-19)17(3)5-4-6-18-7-13-21(14-8-18)22(23)24/h7-14,16-17H,4-6,15H2,1-3H3,(H,23,24)/t17-/m1/s1
    • InChI Key： ZRVOBBSQYUTSMW-QGZVFWFLSA-N
    • SMILES： C(O)(=O)C1=CC=C(CCC[C@H](C2=CC=C(CC(C)C)C=C2)C)C=C1

Computed Properties

  • Exact Mass: 324.20904

Experimental Properties

  • Density: 1.040±0.06 g/cm3(Predicted)
  • Boiling Point: 467.0±24.0 °C(Predicted)
  • PSA: 37.3
  • pka: 4.35±0.10(Predicted)

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