Cas no 80220-96-8 (2,4-Nonadiynoic acid)

2,4-Nonadiynoic acid structure
2,4-Nonadiynoic acid structure
Product Name:2,4-Nonadiynoic acid
CAS No:80220-96-8
MF:C9H10O2
MW:150.174502849579
CID:706043
PubChem ID:5247373
Update Time:2025-04-19

2,4-Nonadiynoic acid Chemical and Physical Properties

Names and Identifiers

    • 2,4-Nonadiynoic acid
    • nona-2,4-diynoic acid
    • 80220-96-8
    • DTXSID50413040
    • Inchi: 1S/C9H10O2/c1-2-3-4-5-6-7-8-9(10)11/h2-4H2,1H3,(H,10,11)
    • InChI Key: JNZQNHYKPZYESI-UHFFFAOYSA-N
    • SMILES: OC(C#CC#CCCCC)=O

Computed Properties

  • Exact Mass: 150.068079557g/mol
  • Monoisotopic Mass: 150.068079557g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 3
  • Complexity: 250
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.7
  • Topological Polar Surface Area: 37.3?2
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