Cas no 62230-14-2 (2-Propenoic acid, 3-(4-pyridinyl)-, butyl ester)

2-Propenoic acid, 3-(4-pyridinyl)-, butyl ester structure
62230-14-2 structure
Product Name:2-Propenoic acid, 3-(4-pyridinyl)-, butyl ester
CAS No:62230-14-2
MF:C12H15NO2
MW:205.253003358841
CID:453429
PubChem ID:71388548
Update Time:2025-04-19

2-Propenoic acid, 3-(4-pyridinyl)-, butyl ester Chemical and Physical Properties

Names and Identifiers

    • 2-Propenoic acid, 3-(4-pyridinyl)-, butyl ester
    • butyl 3-pyridin-4-ylprop-2-enoate
    • DTXSID50810611
    • BUTYL 3-(PYRIDIN-4-YL)PROP-2-ENOATE
    • 62230-14-2
    • Inchi: 1S/C12H15NO2/c1-2-3-10-15-12(14)5-4-11-6-8-13-9-7-11/h4-9H,2-3,10H2,1H3
    • InChI Key: VHYJJIUGXPLUEO-UHFFFAOYSA-N
    • SMILES: O(C(C=CC1C=CN=CC=1)=O)CCCC

Computed Properties

  • Exact Mass: 205.11035
  • Monoisotopic Mass: 205.110278721g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 6
  • Complexity: 208
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 1
  • XLogP3: 2.4
  • Topological Polar Surface Area: 39.2?2

Experimental Properties

  • PSA: 39.19
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