Cas no 75649-68-2 ( )

  structure
  structure
Product Name: 
CAS No:75649-68-2
MF:C8H12O2
MW:140.179682731628
CID:981939
PubChem ID:290078
Update Time:2025-04-19

  Chemical and Physical Properties

Names and Identifiers

    • cyclohept-3-ene-1-carboxylic acid
    • 4-Cycloheptencarbonsaeure
    • 4-cycloheptenecarboxylic acid
    • AKOS006377066
    • DTXSID70302689
    • NSC152695
    • NSC-152695
    • SCHEMBL4617510
    • 75649-68-2
    •  
    • Inchi： 1S/C8H12O2/c9-8(10)7-5-3-1-2-4-6-7/h1,3,7H,2,4-6H2,(H,9,10)
    • InChI Key： GABHLXMDAJUMTI-UHFFFAOYSA-N
    • SMILES： OC(C1CC=CCCC1)=O

Computed Properties

  • Exact Mass: 140.08400
  • Monoisotopic Mass: 140.083729621g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 149
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.8
  • Topological Polar Surface Area: 37.3?2

Experimental Properties

  • PSA: 37.30000
  • LogP: 1.81740

  Related Literature

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