Cas no 144949-59-7 ([1,1'-Biphenyl]-3,3'-dicarboxylicacid, 5,5'-dinitro-)

[1,1'-Biphenyl]-3,3'-dicarboxylicacid, 5,5'-dinitro- structure
144949-59-7 structure
Product Name:[1,1'-Biphenyl]-3,3'-dicarboxylicacid, 5,5'-dinitro-
CAS No:144949-59-7
MF:C14H8N2O8
MW:332.221923828125
CID:102166
PubChem ID:22918858
Update Time:2025-04-18

[1,1'-Biphenyl]-3,3'-dicarboxylicacid, 5,5'-dinitro- Chemical and Physical Properties

Names and Identifiers

    • [1,1'-Biphenyl]-3,3'-dicarboxylicacid, 5,5'-dinitro-
    • 3-(3-carboxy-5-nitrophenyl)-5-nitrobenzoic acid
    • 5,5'-Dicarboxy-3,3'-dinitrobiphenyl
    • 5,5'-Dinitro[1,1'-biphenyl]-3,3'-dicarboxylic acid
    • DTXSID10628916
    • SCHEMBL8840168
    • 3,3'-DICARBOXY-5,5'-DINITROBIPHENYL
    • 144949-59-7
    • Inchi： 1S/C14H8N2O8/c17-13(18)9-1-7(3-11(5-9)15(21)22)8-2-10(14(19)20)6-12(4-8)16(23)24/h1-6H,(H,17,18)(H,19,20)
    • InChI Key： XVJSFQJMJQNVGO-UHFFFAOYSA-N
    • SMILES： OC(C1=CC(=CC(=C1)C1C=C(C=C(C(=O)O)C=1)[N+](=O)[O-])[N+](=O)[O-])=O

Computed Properties

  • Exact Mass: 332.02800
  • Monoisotopic Mass: 332.02806522g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 3
  • Complexity: 492
  • 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: 2.3
  • Topological Polar Surface Area: 166?2

Experimental Properties

  • PSA: 166.24000
  • LogP: 3.61280

[1,1'-Biphenyl]-3,3'-dicarboxylicacid, 5,5'-dinitro- Related Literature

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