Cas no 775557-13-6 (Benzoic acid,2-methyl-4-(2-pyridinyl)-)

Benzoic acid,2-methyl-4-(2-pyridinyl)- structure
775557-13-6 structure
Product Name:Benzoic acid,2-methyl-4-(2-pyridinyl)-
CAS No:775557-13-6
MF:C13H11NO2
MW:213.231943368912
CID:552719
PubChem ID:45097364
Update Time:2025-04-19

Benzoic acid,2-methyl-4-(2-pyridinyl)- Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid,2-methyl-4-(2-pyridinyl)-
    • Benzoic acid, 2-methyl-4-(2-pyridinyl)- (9CI)
    • 2-Methyl-4-(2-pyridinyl)benzoic acid
    • 775557-13-6
    • Inchi: 1S/C13H11NO2/c1-9-8-10(5-6-11(9)13(15)16)12-4-2-3-7-14-12/h2-8H,1H3,(H,15,16)
    • InChI Key: KLUMXEDAFFJQTB-UHFFFAOYSA-N
    • SMILES: OC(C1=CC=C(C2C=CC=CN=2)C=C1C)=O

Computed Properties

  • Exact Mass: 213.079
  • Monoisotopic Mass: 213.079
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 254
  • 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: 2.4
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