Cas no 89354-69-8 (4-Pentenoic acid, 2-amino-3-methylene-)

4-Pentenoic acid, 2-amino-3-methylene- structure
89354-69-8 structure
Product Name:4-Pentenoic acid, 2-amino-3-methylene-
CAS No:89354-69-8
MF:C6H9NO2
MW:127.141161680222
CID:603427
PubChem ID:55284030
Update Time:2025-04-19

4-Pentenoic acid, 2-amino-3-methylene- Chemical and Physical Properties

Names and Identifiers

    • 4-Pentenoic acid, 2-amino-3-methylene-
    • 2-amino-3-methylidenepent-4-enoic acid
    • AKOS006347743
    • DTXSID50717419
    • 89354-69-8
    • Inchi: 1S/C6H9NO2/c1-3-4(2)5(7)6(8)9/h3,5H,1-2,7H2,(H,8,9)
    • InChI Key: JLPKOKKVYNEOES-UHFFFAOYSA-N
    • SMILES: OC(C(C(=C)C=C)N)=O

Computed Properties

  • Exact Mass: 127.063
  • Monoisotopic Mass: 127.063
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 3
  • Complexity: 151
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 63.3A^2
  • XLogP3: -1.5
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