Cas no 58138-41-3 (Benzenebutanoic acid, 3,4-diethyl-)

Benzenebutanoic acid, 3,4-diethyl- structure
58138-41-3 structure
Product Name:Benzenebutanoic acid, 3,4-diethyl-
CAS No:58138-41-3
MF:C14H20O2
MW:220.307404518127
CID:343006
PubChem ID:12366398
Update Time:2025-04-19

Benzenebutanoic acid, 3,4-diethyl- Chemical and Physical Properties

Names and Identifiers

    • Benzenebutanoic acid, 3,4-diethyl-
    • 4-(3,4-diethylphenyl)butanoic acid
    • 58138-41-3
    • 4-(3',4'-diethylphenyl) butanoic acid
    • YZWHKRDFVMVVHT-UHFFFAOYSA-N
    • DTXSID30494493
    • Inchi： 1S/C14H20O2/c1-3-12-9-8-11(10-13(12)4-2)6-5-7-14(15)16/h8-10H,3-7H2,1-2H3,(H,15,16)
    • InChI Key： YZWHKRDFVMVVHT-UHFFFAOYSA-N
    • SMILES： OC(CCCC1C=CC(CC)=C(CC)C=1)=O

Computed Properties

  • Exact Mass: 220.1464
  • Monoisotopic Mass: 220.146329876g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 6
  • Complexity: 213
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.6
  • Topological Polar Surface Area: 37.3?2

Experimental Properties

  • PSA: 37.3

Benzenebutanoic acid, 3,4-diethyl- Related Literature

58138-41-3 (Benzenebutanoic acid, 3,4-diethyl-) Related Products

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