Cas no 88086-68-4 (Benzoic acid, 2-(4-carboxyphenoxy)-5-nitro-)

Benzoic acid, 2-(4-carboxyphenoxy)-5-nitro- structure
88086-68-4 structure
Product Name:Benzoic acid, 2-(4-carboxyphenoxy)-5-nitro-
CAS No:88086-68-4
MF:C14H9NO7
MW:303.223764181137
CID:645839
PubChem ID:45317075
Update Time:2025-04-19

Benzoic acid, 2-(4-carboxyphenoxy)-5-nitro- Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid, 2-(4-carboxyphenoxy)-5-nitro-
    • 2-(4-carboxyphenoxy)-5-nitrobenzoic acid
    • DTXSID40669913
    • 88086-68-4
    • Inchi: 1S/C14H9NO7/c16-13(17)8-1-4-10(5-2-8)22-12-6-3-9(15(20)21)7-11(12)14(18)19/h1-7H,(H,16,17)(H,18,19)
    • InChI Key: MHKGKOKORYRAQA-UHFFFAOYSA-N
    • SMILES: O(C1C=CC(C(=O)O)=CC=1)C1C=CC(=CC=1C(=O)O)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 303.03790163g/mol
  • Monoisotopic Mass: 303.03790163g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 4
  • Complexity: 439
  • 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: 2.5
  • Topological Polar Surface Area: 130?2
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