Cas no 77977-75-4 (1,2-Ethanediol, 1-(4-nitrophenyl)-, (1S)-)

1,2-Ethanediol, 1-(4-nitrophenyl)-, (1S)- structure
77977-75-4 structure
Product Name:1,2-Ethanediol, 1-(4-nitrophenyl)-, (1S)-
CAS No:77977-75-4
MF:C8H9NO4
MW:183.161362409592
CID:535138
PubChem ID:1532162
Update Time:2025-04-19

1,2-Ethanediol, 1-(4-nitrophenyl)-, (1S)- Chemical and Physical Properties

Names and Identifiers

    • 1,2-Ethanediol, 1-(4-nitrophenyl)-, (1S)-
    • 77977-75-4
    • DTXSID60364175
    • Inchi： 1S/C8H9NO4/c10-5-8(11)6-1-3-7(4-2-6)9(12)13/h1-4,8,10-11H,5H2/t8-/m1/s1
    • InChI Key： YOJHBFHEOQUUAR-MRVPVSSYSA-N
    • SMILES： O[C@H](CO)C1C=CC(=CC=1)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 183.05315777g/mol
  • Monoisotopic Mass: 183.05315777g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 172
  • 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: 0.2
  • Topological Polar Surface Area: 86.3?2

1,2-Ethanediol, 1-(4-nitrophenyl)-, (1S)- Related Literature

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