Cas no 166386-38-5 (4-(4-carbamoylphenyl)benzoic acid)

4-(4-carbamoylphenyl)benzoic acid structure
166386-38-5 structure
Product Name:4-(4-carbamoylphenyl)benzoic acid
CAS No:166386-38-5
MF:C14H11NO3
MW:241.242043733597
CID:110756
PubChem ID:10752598
Update Time:2025-04-18

4-(4-carbamoylphenyl)benzoic acid Chemical and Physical Properties

Names and Identifiers

    • [1,1'-Biphenyl]-4-carboxylicacid, 4'-(aminocarbonyl)-
    • 4-(4-Carbamoylphenyl)benzoic acid
    • [1,1'-Biphenyl]-4-carboxylicacid,4'-(aminocarbonyl)
    • 4-(4-carbamoyl-phenyl)-benzoic acid
    • 4'-carbamoyl-[1,1'-biphenyl]-4-carboxylic acid
    • 4''-Carbamoyl-biphenyl-4-carboxylic acid
    • 4'-(Aminocarbonyl)[1,1'-biphenyl]-4-carboxylic acid
    • DTXSID40444424
    • 166386-38-5
    • EN300-1585737
    • 4'-carbamoyl-[1,1'-biphenyl]-4-carboxylicacid
    • SCHEMBL6500925
    • CHEMBL107525
    • QHLNIHHGHTXGDF-UHFFFAOYSA-N
    • [1,1'-Biphenyl]-4-carboxylic acid, 4'-(aminocarbonyl)-
    • BDBM50060994
    • 4-(4-carbamoylphenyl)benzoic acid
    • Inchi: 1S/C14H11NO3/c15-13(16)11-5-1-9(2-6-11)10-3-7-12(8-4-10)14(17)18/h1-8H,(H2,15,16)(H,17,18)
    • InChI Key: QHLNIHHGHTXGDF-UHFFFAOYSA-N
    • SMILES: OC(C1C=CC(=CC=1)C1C=CC(C(N)=O)=CC=1)=O

Computed Properties

  • Exact Mass: 241.07400
  • Monoisotopic Mass: 241.07389321g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 3
  • Complexity: 313
  • 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
  • Surface Charge: 0
  • Tautomer Count: 2
  • XLogP3: 2
  • Topological Polar Surface Area: 80.4?2

Experimental Properties

  • PSA: 80.39000
  • LogP: 2.85100

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