Cas no 360550-39-6 (2-Propenoic acid, 3-(3-pyridinyl)-, butyl ester, (2E)-)

2-Propenoic acid, 3-(3-pyridinyl)-, butyl ester, (2E)- structure
360550-39-6 structure
Product Name:2-Propenoic acid, 3-(3-pyridinyl)-, butyl ester, (2E)-
CAS No:360550-39-6
MF:C12H15NO2
MW:205.253003358841
CID:1475460
Update Time:2024-08-24

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

Names and Identifiers

    • 2-Propenoic acid, 3-(3-pyridinyl)-, butyl ester, (2E)-
    • Inchi： 1S/C12H15NO2/c1-2-3-9-15-12(14)7-6-11-5-4-8-13-10-11/h4-8,10H,2-3,9H2,1H3/b7-6+
    • InChI Key： ZCZUIAFIHCGERG-VOTSOKGWSA-N
    • SMILES： C(OCCCC)(=O)/C=C/C1=CC=CN=C1

Computed Properties

  • Exact Mass: 205.11035

Experimental Properties

  • Density: 1.062±0.06 g/cm3(Predicted)
  • Boiling Point: 316.2±17.0 °C(Predicted)
  • PSA: 39.19
  • pka: 4.02±0.11(Predicted)

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