Cas no 113118-53-9 (Hexenoic acid, methyl ester)

Hexenoic acid, methyl ester structure
Hexenoic acid, methyl ester structure
Product Name:Hexenoic acid, methyl ester
CAS No:113118-53-9
MF:C7H12O2
MW:128.16898
CID:1200886

Hexenoic acid, methyl ester Chemical and Physical Properties

Names and Identifiers

    • Hexenoic acid, methyl ester

Computed Properties

  • Exact Mass: 128.08376
  • Monoisotopic Mass: 128.084
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 4
  • Complexity: 106
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 1
  • Topological Polar Surface Area: 26.3A^2

Experimental Properties

  • Density: 0.907
  • Boiling Point: 149.3 °C at 760 mmHg
  • Flash Point: 45.4 °C
  • Refractive Index: 1.427
  • PSA: 26.3
  • LogP: 1.51570

Hexenoic acid, methyl ester Related Literature

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