Cas no 216059-94-8 (Benzoic acid,4-(3-quinolinyl)-)

Benzoic acid,4-(3-quinolinyl)- structure
216059-94-8 structure
Product Name:Benzoic acid,4-(3-quinolinyl)-
CAS No:216059-94-8
MF:C16H11NO2
MW:249.264044046402
CID:243231
PubChem ID:4133299
Update Time:2025-04-19

Benzoic acid,4-(3-quinolinyl)- Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid,4-(3-quinolinyl)-
    • 4-(2-METHYLQUINOLIN-6-YL)BENZOIC ACID
    • 4-(2-METHYL(QUINOLIN-6-YL))BENZOIC ACID
    • 4-(Quinolin-6-yl)benzoic acid
    • Benzoic acid,4-(3-quinolinyl)
    • 4-(3-quinolinyl)benzoic acid
    • 4-quinolin-3-ylbenzoic Acid
    • SCHEMBL8109340
    • SB71208
    • BB 0222750
    • 4-Quinolin-3-yl-benzoic acid
    • AKOS004114116
    • 4-(QUINOLIN-3-YL)BENZOICACID
    • 4-(QUINOLIN-3-YL)BENZOIC ACID
    • 216059-94-8
    • MDL: MFCD06801829
    • Inchi: 1S/C16H11NO2/c18-16(19)12-7-5-11(6-8-12)14-9-13-3-1-2-4-15(13)17-10-14/h1-10H,(H,18,19)
    • InChI Key: DEGQFAJPLNIVAA-UHFFFAOYSA-N
    • SMILES: OC(C1C=CC(=CC=1)C1=CN=C2C=CC=CC2=C1)=O

Computed Properties

  • Exact Mass: 263.09500
  • Monoisotopic Mass: 263.095
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 2
  • Complexity: 349
  • 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
  • Topological Polar Surface Area: 50.2A^2
  • XLogP3: 3.3

Experimental Properties

  • PSA: 50.19000
  • LogP: 3.90840

Benzoic acid,4-(3-quinolinyl)- Pricemore >>

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