Cas no 33109-58-9 (Butanedioic acid, bis(4-nitrophenyl) ester)

Butanedioic acid, bis(4-nitrophenyl) ester structure
33109-58-9 structure
Product Name:Butanedioic acid, bis(4-nitrophenyl) ester
CAS No:33109-58-9
MF:C16H12N2O8
MW:360.275084495544
CID:1460284
PubChem ID:2322354
Update Time:2025-04-20

Butanedioic acid, bis(4-nitrophenyl) ester Chemical and Physical Properties

Names and Identifiers

    • Butanedioic acid, bis(4-nitrophenyl) ester
    • bis(4-nitrophenyl) butanedioate
    • CS-0347636
    • Bis-(4-nitrophenyl) succinate
    • HKJFYVRDQXGPPK-UHFFFAOYSA-N
    • Bis-(4-nitrophenyl)succinate
    • 1,4-Bis(4-nitrophenyl) butanedioate
    • Succinic acid bis-(4-nitro-phenyl) ester
    • 3FWM2Z3M8Y
    • AKOS030570024
    • UNII-3FWM2Z3M8Y
    • SCHEMBL957930
    • SR-01000029213-1
    • Bis-(p-nitrophenyl) succinate
    • Butanedioic acid, 1,4-bis(4-nitrophenyl) ester
    • DTXSID70368083
    • Bis-(p-nitrophenyl)succinate
    • bis(4-nitrophenyl)succinate
    • 33109-58-9
    • Oprea1_621425
    • SR-01000029213
    • Bis(4-nitrophenyl) succinate
    • Inchi: 1S/C16H12N2O8/c19-15(25-13-5-1-11(2-6-13)17(21)22)9-10-16(20)26-14-7-3-12(4-8-14)18(23)24/h1-8H,9-10H2
    • InChI Key: HKJFYVRDQXGPPK-UHFFFAOYSA-N
    • SMILES: O(C1C=CC(=CC=1)[N+](=O)[O-])C(CCC(=O)OC1C=CC(=CC=1)[N+](=O)[O-])=O

Computed Properties

  • Exact Mass: 360.05936
  • Monoisotopic Mass: 360.05936535g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 26
  • Rotatable Bond Count: 7
  • Complexity: 477
  • 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: 2.6
  • Topological Polar Surface Area: 144?2

Experimental Properties

  • PSA: 138.88
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