Cas no 139682-44-3 (2-Propenoic acid, 3-[[2-(pyridinyl)ethenyl]phenyl]-)

2-Propenoic acid, 3-[[2-(pyridinyl)ethenyl]phenyl]- structure
139682-44-3 structure
Product Name:2-Propenoic acid, 3-[[2-(pyridinyl)ethenyl]phenyl]-
CAS No:139682-44-3
MF:C16H13NO2
MW:251.279924154282
CID:1278730
PubChem ID:71343013
Update Time:2025-04-20

2-Propenoic acid, 3-[[2-(pyridinyl)ethenyl]phenyl]- Chemical and Physical Properties

Names and Identifiers

    • 2-Propenoic acid, 3-[[2-(pyridinyl)ethenyl]phenyl]-
    • 3-[2-(2-pyridin-2-ylethenyl)phenyl]prop-2-enoic acid
    • 139682-44-3
    • DTXSID20769682
    • 3-{2-[2-(Pyridin-2-yl)ethenyl]phenyl}prop-2-enoic acid
    • Inchi: 1S/C16H13NO2/c18-16(19)11-9-14-6-2-1-5-13(14)8-10-15-7-3-4-12-17-15/h1-12H,(H,18,19)
    • InChI Key: BLQFMAIUINFXGG-UHFFFAOYSA-N
    • SMILES: OC(C=CC1C=CC=CC=1C=CC1C=CC=CN=1)=O

Computed Properties

  • Exact Mass: 251.09469
  • Monoisotopic Mass: 251.094628657g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 4
  • 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: 2
  • XLogP3: 3.1
  • Topological Polar Surface Area: 50.2?2

Experimental Properties

  • PSA: 50.19

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