Cas no 495380-56-8 (2-Propenoic acid, 3-(6-methyl-2-pyridinyl)-, 1,1-dimethylethyl ester,(2E)-)

2-Propenoic acid, 3-(6-methyl-2-pyridinyl)-, 1,1-dimethylethyl ester,(2E)- structure
495380-56-8 structure
Product Name:2-Propenoic acid, 3-(6-methyl-2-pyridinyl)-, 1,1-dimethylethyl ester,(2E)-
CAS No:495380-56-8
MF:C13H17NO2
MW:219.279583692551
CID:1523928
Update Time:2024-08-24

2-Propenoic acid, 3-(6-methyl-2-pyridinyl)-, 1,1-dimethylethyl ester,(2E)- Chemical and Physical Properties

Names and Identifiers

    • 2-Propenoic acid, 3-(6-methyl-2-pyridinyl)-, 1,1-dimethylethyl ester,(2E)-
    • 2-Propenoic acid, 3-(6-methyl-2-pyridinyl)-, 1,1-dimethylethyl ester, (2E)-
    • Inchi: 1S/C13H17NO2/c1-10-6-5-7-11(14-10)8-9-12(15)16-13(2,3)4/h5-9H,1-4H3/b9-8+
    • InChI Key: KTBZYXKADCEURD-CMDGGOBGSA-N
    • SMILES: C(OC(C)(C)C)(=O)/C=C/C1=NC(C)=CC=C1

Computed Properties

  • Exact Mass: 219.12601

Experimental Properties

  • Density: 1.046±0.06 g/cm3(Predicted)
  • Boiling Point: 310.0±27.0 °C(Predicted)
  • PSA: 39.19
  • pka: 4.91±0.10(Predicted)
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