Cas no 439107-56-9 ((Z)-3-(Pyridin-4-yl)acrylic acid)

(Z)-3-(Pyridin-4-yl)acrylic acid structure
439107-56-9 structure
Product Name:(Z)-3-(Pyridin-4-yl)acrylic acid
CAS No:439107-56-9
MF:C8H7NO2
MW:149.146682024002
CID:1019663
Update Time:2023-08-02

(Z)-3-(Pyridin-4-yl)acrylic acid Chemical and Physical Properties

Names and Identifiers

    • 2-Propenoicacid,3-(4-pyridinyl)-,(2Z)-(9CI)
    • (Z)-3-(pyridin-4-yl)acrylic acid
    • 337P791
    • (Z)-3-(Pyridin-4-yl)acrylic acid
    • Inchi: 1S/C8H7NO2/c10-8(11)2-1-7-3-5-9-6-4-7/h1-6H,(H,10,11)/b2-1-
    • InChI Key: SSAYTINUCCRGDR-UPHRSURJSA-N
    • SMILES: OC(/C=C\C1C=CN=CC=1)=O

Computed Properties

  • Exact Mass: 149.048
  • Monoisotopic Mass: 149.048
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 160
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 50.2
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