Cas no 2137794-28-4 (5-aminopent-2-ynoic acid)

5-aminopent-2-ynoic acid structure
5-aminopent-2-ynoic acid structure
Product Name:5-aminopent-2-ynoic acid
CAS No:2137794-28-4
MF:C5H7NO2
MW:113.114581346512
MDL:MFCD31421150
CID:5174184
PubChem ID:54419504
Update Time:2024-03-01

5-aminopent-2-ynoic acid Chemical and Physical Properties

Names and Identifiers

    • 5-aminopent-2-ynoic acid
    • MDL: MFCD31421150
    • Inchi: 1S/C5H7NO2/c6-4-2-1-3-5(7)8/h2,4,6H2,(H,7,8)
    • InChI Key: VZUDEFQCECGEBB-UHFFFAOYSA-N
    • SMILES: C(O)(=O)C#CCCN

Computed Properties

  • Exact Mass: 113.047678466g/mol
  • Monoisotopic Mass: 113.047678466g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 1
  • Complexity: 139
  • 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: -2.5
  • Topological Polar Surface Area: 63.3?2

5-aminopent-2-ynoic acid Pricemore >>

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