Cas no 107537-99-5 (Pentanenitrile, 2-hydroxy-, (S)-)

Pentanenitrile, 2-hydroxy-, (S)- structure
107537-99-5 structure
Product Name:Pentanenitrile, 2-hydroxy-, (S)-
CAS No:107537-99-5
MF:C5H9NO
MW:99.1310613155365
CID:1183471
PubChem ID:12548639
Update Time:2025-04-20

Pentanenitrile, 2-hydroxy-, (S)- Chemical and Physical Properties

Names and Identifiers

    • (S)-2-Hydroxypentanenitrile
    • Pentanenitrile, 2-hydroxy-, (S)-
    • (2S)-2-hydroxypentanenitrile
    • DTXSID701309733
    • 107537-99-5
    • CHEBI:197363
    • Inchi: 1S/C5H9NO/c1-2-3-5(7)4-6/h5,7H,2-3H2,1H3/t5-/m0/s1
    • InChI Key: AANFRDGJHYLLAE-YFKPBYRVSA-N
    • SMILES: O[C@H](C#N)CCC

Computed Properties

  • Exact Mass: 99.068413911g/mol
  • Monoisotopic Mass: 99.068413911g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 7
  • Rotatable Bond Count: 2
  • Complexity: 81.3
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.6
  • Topological Polar Surface Area: 44?2
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