Cas no 61229-05-8 (7-Decenoic acid,9-methyl-, (E)- (9CI))

7-Decenoic acid,9-methyl-, (E)- (9CI) structure
61229-05-8 structure
Product Name:7-Decenoic acid,9-methyl-, (E)- (9CI)
CAS No:61229-05-8
MF:C11H20O2
MW:184.275303840637
CID:525121
PubChem ID:6442574
Update Time:2025-04-19

7-Decenoic acid,9-methyl-, (E)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • 7-Decenoic acid,9-methyl-, (E)- (9CI)
    • (E)-9-methyldec-7-enoic acid
    • Inchi： 1S/C11H20O2/c1-10(2)8-6-4-3-5-7-9-11(12)13/h6,8,10H,3-5,7,9H2,1-2H3,(H,12,13)/b8-6+
    • InChI Key： MAXWNMPBFJYJBB-SOFGYWHQSA-N
    • SMILES： OC(CCCCC/C=C/C(C)C)=O

Computed Properties

  • Exact Mass: 184.1464
  • Monoisotopic Mass: 184.14633
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 7
  • Complexity: 160
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 37.3
  • XLogP3: 3.3

Experimental Properties

  • Density: 0.927
  • Boiling Point: 290.7°Cat760mmHg
  • Flash Point: 187.9°C
  • Refractive Index: 1.461
  • PSA: 37.3

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