Cas no 92304-49-9 (4-NITROPHENYLGLYOXAL HYDRATE)

4-NITROPHENYLGLYOXAL HYDRATE structure
4-NITROPHENYLGLYOXAL HYDRATE structure
Product Name:4-NITROPHENYLGLYOXAL HYDRATE
CAS No:92304-49-9
MF:C8H7NO5
MW:197.144882440567
CID:891984
PubChem ID:12329347
Update Time:2025-04-19

4-NITROPHENYLGLYOXAL HYDRATE Chemical and Physical Properties

Names and Identifiers

    • 4-NITROPHENYLGLYOXAL HYDRATE
    • 2-(4-nitrophenyl)-2-oxoacetaldehyde,hydrate
    • 4-NITROPHENYLGLYOXAL H2O
    • OR1604
    • 2-(4-nitrophenyl)-2-oxoacetaldehyde;hydrate
    • AB42376
    • AKOS015855137
    • (4-Nitrophenyl)(oxo)acetaldehyde--water (1/1)
    • SY104051
    • MFCD07776822
    • DS-0005
    • 2-(4-nitrophenyl)-2-oxoacetaldehyde hydrate
    • SCHEMBL836819
    • FT-0647144
    • 4-NITROPHENYLGLYOXALHYDRATE
    • 92304-49-9
    • DTXSID70490217
    • FT-0692560
    • MDL: MFCD07776822
    • Inchi: 1S/C8H5NO4.H2O/c10-5-8(11)6-1-3-7(4-2-6)9(12)13;/h1-5H;1H2
    • InChI Key: JBEYLWJLXTYLIC-UHFFFAOYSA-N
    • SMILES: O=C(C=O)C1C=CC(=CC=1)[N+](=O)[O-].O

Computed Properties

  • Exact Mass: 197.03200
  • Monoisotopic Mass: 197.03242232g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • Complexity: 225
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 81?2

Experimental Properties

  • PSA: 89.19000
  • LogP: 1.43530

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