Cas no 61271-90-7 (3-Nonenoic acid, 4-methyl-)

3-Nonenoic acid, 4-methyl- structure
3-Nonenoic acid, 4-methyl- structure
Product Name:3-Nonenoic acid, 4-methyl-
CAS No:61271-90-7
MF:C10H18O2
MW:170.248723506927
CID:486311
PubChem ID:54242513
Update Time:2025-04-19

3-Nonenoic acid, 4-methyl- Chemical and Physical Properties

Names and Identifiers

    • 3-Nonenoic acid, 4-methyl-
    • 4-methylnon-3-enoic acid
    • DTXSID90709999
    • 61271-90-7
    • Inchi: 1S/C10H18O2/c1-3-4-5-6-9(2)7-8-10(11)12/h7H,3-6,8H2,1-2H3,(H,11,12)
    • InChI Key: QQZVHSKDJXHMBX-UHFFFAOYSA-N
    • SMILES: OC(CC=C(C)CCCCC)=O

Computed Properties

  • Exact Mass: 170.13074
  • Monoisotopic Mass: 170.130679813g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 6
  • Complexity: 159
  • 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
  • XLogP3: 3.4
  • Topological Polar Surface Area: 37.3?2

Experimental Properties

  • PSA: 37.3
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