Cas no 646518-45-8 (2-Propen-1-ol, 3-(6-methoxy-3-pyridinyl)-2-methyl-, (2E)-)

2-Propen-1-ol, 3-(6-methoxy-3-pyridinyl)-2-methyl-, (2E)- structure
646518-45-8 structure
Product Name:2-Propen-1-ol, 3-(6-methoxy-3-pyridinyl)-2-methyl-, (2E)-
CAS No:646518-45-8
MF:C10H13NO2
MW:179.215722799301
CID:419859
PubChem ID:69261014
Update Time:2025-04-19

2-Propen-1-ol, 3-(6-methoxy-3-pyridinyl)-2-methyl-, (2E)- Chemical and Physical Properties

Names and Identifiers

    • 2-Propen-1-ol, 3-(6-methoxy-3-pyridinyl)-2-methyl-, (2E)-
    • 3-(6-methoxypyridin-3-yl)-2-methylprop-2-en-1-ol
    • DTXSID20740133
    • 646518-45-8
    • Inchi: 1S/C10H13NO2/c1-8(7-12)5-9-3-4-10(13-2)11-6-9/h3-6,12H,7H2,1-2H3
    • InChI Key: UJQKPSJFQYXMMX-UHFFFAOYSA-N
    • SMILES: O(C)C1=CC=C(C=N1)C=C(C)CO

Computed Properties

  • Exact Mass: 179.09469
  • Monoisotopic Mass: 179.094628657g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 180
  • 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: 1.5
  • Topological Polar Surface Area: 42.4?2

Experimental Properties

  • PSA: 42.35
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