Cas no 54299-03-5 (2-Undecenoic acid, methyl ester, (Z)-)

2-Undecenoic acid, methyl ester, (Z)- structure
54299-03-5 structure
Product Name:2-Undecenoic acid, methyl ester, (Z)-
CAS No:54299-03-5
MF:C12H22O2
MW:198.301884174347
CID:354943
Update Time:2024-01-28

2-Undecenoic acid, methyl ester, (Z)- Chemical and Physical Properties

Names and Identifiers

    • 2-Undecenoic acid, methyl ester, (Z)-
    • 2-Undecenoic acid, methyl ester, (2Z)-
    • Inchi： 1S/C12H22O2/c1-3-4-5-6-7-8-9-10-11-12(13)14-2/h10-11H,3-9H2,1-2H3/b11-10-
    • InChI Key： FDNCPIRKQFHDBX-KHPPLWFESA-N
    • SMILES： C(OC)(=O)/C=C\CCCCCCCC

Computed Properties

  • Exact Mass: 198.16206
  • Monoisotopic Mass: 198.162
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 9
  • Complexity: 162
  • 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

Experimental Properties

  • Density: 0.886±0.06 g/cm3(Predicted)
  • Boiling Point: 254.9±9.0 °C(Predicted)
  • PSA: 26.3

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