Cas no 62290-39-5 (Benzoic acid, 4-[(4-nitrophenyl)methoxy]-)

Benzoic acid, 4-[(4-nitrophenyl)methoxy]- structure
62290-39-5 structure
Product Name:Benzoic acid, 4-[(4-nitrophenyl)methoxy]-
CAS No:62290-39-5
MF:C14H11NO5
MW:273.240844011307
CID:450642
PubChem ID:8706969
Update Time:2025-04-19

Benzoic acid, 4-[(4-nitrophenyl)methoxy]- Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid, 4-[(4-nitrophenyl)methoxy]-
    • 4-[(4-nitrophenyl)methoxy]benzoic acid
    • AKOS000159159
    • 62290-39-5
    • DTXSID60429213
    • Inchi: 1S/C14H11NO5/c16-14(17)11-3-7-13(8-4-11)20-9-10-1-5-12(6-2-10)15(18)19/h1-8H,9H2,(H,16,17)
    • InChI Key: AKXIWSFRIDPDMF-UHFFFAOYSA-N
    • SMILES: O(C1C=CC(C(=O)O)=CC=1)CC1C=CC(=CC=1)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 273.06373
  • Monoisotopic Mass: 273.06372245g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 4
  • Complexity: 338
  • 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: 2.7
  • Topological Polar Surface Area: 92.4?2

Experimental Properties

  • PSA: 89.67
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