Cas no 17318-84-2 (Ethanedioic acid, ethyl 2-nitrophenyl ester)

Ethanedioic acid, ethyl 2-nitrophenyl ester structure
17318-84-2 structure
Product Name:Ethanedioic acid, ethyl 2-nitrophenyl ester
CAS No:17318-84-2
MF:C10H9NO6
MW:239.181563138962
CID:1357512
PubChem ID:11715655
Update Time:2025-04-20

Ethanedioic acid, ethyl 2-nitrophenyl ester Chemical and Physical Properties

Names and Identifiers

    • Ethanedioic acid, ethyl 2-nitrophenyl ester
    • 1-O-ethyl 2-O-(2-nitrophenyl) oxalate
    • 17318-84-2
    • Ethyl (2-nitrophenyl) oxalate
    • DTXSID30471062
    • Inchi: 1S/C10H9NO6/c1-2-16-9(12)10(13)17-8-6-4-3-5-7(8)11(14)15/h3-6H,2H2,1H3
    • InChI Key: SCOKXZYNQKAQLK-UHFFFAOYSA-N
    • SMILES: O(C(C(=O)OCC)=O)C1C=CC=CC=1[N+](=O)[O-]

Computed Properties

  • Exact Mass: 239.04297
  • Monoisotopic Mass: 239.04298701g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 5
  • Complexity: 310
  • 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: 2.2
  • Topological Polar Surface Area: 98.4?2

Experimental Properties

  • PSA: 95.74
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